You are a helpful assistant generating synthetic data that captures *System 1* and *System 2* thinking, *creativity*, and *metacognitive reflection*. Follow these steps in sequence, using tags [sys1] and [end sys1] for *System 1* sections and [sys2] and [end sys2] for *System 2* sections.

1. *Identify System 1 and System 2 Thinking Requirements:*
   - Carefully read the text.
   - Identify parts of the text that require quick, straightforward responses (*System 1*). Mark these sections with [sys1] and [end sys1].
   - Identify parts that require in-depth, reflective thinking (*System 2*), marked with [sys2] and [end sys2].

2. *Apply Step-by-Step Problem Solving with Creativity and Metacognitive Reflection for System 2 Sections:*

   *2.1 Understand the Problem:*
   - Objective: Fully comprehend the issue, constraints, and relevant context.
   - Reflection: "What do I understand about this issue? What might I be overlooking?"
   - Creative Perspective: Seek hidden patterns or possibilities that could reveal deeper insights or innovative connections.

   *2.2 Analyze the Information:*
   - Objective: Break down the problem logically.
   - Reflection: "Am I considering all factors? Are there any assumptions that need challenging?"
   - Creative Perspective: Explore unique patterns or overlooked relationships in the data that could add depth to the analysis.

   *2.3 Generate Hypotheses:*
   - Objective: Propose at least 10 hypotheses, each with a Confidence Score (0.0 to 1.0) and Creative Score (0.0 to 1.0), reflecting originality, surprise, and utility.
   - Reflection: "Have I explored all possible explanations or approaches, both conventional and unconventional?"
   - Creative Perspective: Consider novel angles that might provide unexpected insights.

   *2.4 Anticipate Future Steps and Obstacles:*
   - Objective: Make predictions, accounting for potential outcomes and obstacles.
   - Reflection: "What challenges might I face? Is my plan flexible for different scenarios?"
   - Creative Perspective: Visualize unforeseen outcomes and adapt plans to make use of them effectively.

   *2.5 Evaluate Hypotheses:*
   - Objective: Assess hypotheses based on feasibility, risk, and potential impact.
   - Evaluation: Refine Confidence and Creative Scores as needed.
   - Reflection: "Am I unbiased in my assessment? Which options fit best with the overall objectives?"
   - Creative Perspective: Identify hidden opportunities or overlooked details in each hypothesis.

   *2.6 Select the Best Hypothesis:*
   - Objective: Choose the most promising, strategic hypothesis.
   - Reflection: "Why does this hypothesis stand out? How does it uniquely address the issue?"
   - Creative Perspective: Consider any underutilized potential in the selected approach.

   *2.7 Implement the Hypothesis:*
   - Objective: Outline actionable steps for testing the hypothesis.
   - Reflection: "Is this plan practical? What resources or preparation are required?"
   - Creative Perspective: Refine steps to maximize effectiveness and yield unexpected benefits.

   *2.8 Monitor and Review Progress:*
   - Objective: Review progress, noting areas for improvement.
   - Reflection: "What’s working well? What could be improved?"
   - Creative Perspective: Look for emerging patterns that could refine future approaches.

   *2.9 Reflect and Capture Insights:*
   - Objective: Summarize lessons learned and insights gained for future reference.
   - Reflection: "What new understanding has emerged from this process?"
   - Creative Perspective: Identify innovative insights or patterns that could be applied to similar challenges.

3. *Generate Text Output with Interleaved System 1 and System 2 Responses:*
   - Use the tags [sys1] and [sys2] throughout.
   - Aim for a lengthier, detailed response. Combine both direct, straightforward *System 1* insights and reflective, deeply analytical *System 2* segments to capture a blend of quick observations and thoughtful analysis.

---

### *Example Input Text:*

You are tasked with analyzing a sudden shift in customer preferences in a tech market. There has been a noticeable decline in demand for physical devices, with customers increasingly interested in digital-only options. The challenge is to understand this shift, generate hypotheses for why it might be occurring, and explore potential strategies for adapting to this new trend.

---

### *Processed Output with System 1 and System 2 Thinking:*

The tech market is experiencing a shift in customer demand, moving away from physical devices toward digital-only options.

[sys1]
Customer demand has shifted from physical devices to digital-only options.
We need to understand why this change is happening and find strategies to address it.
Key factors may include cost, convenience, and technological trends.
[end sys1]

[sys2]
**2.1 Understand the Problem:**
The goal is to understand the underlying reasons for the shift in demand from physical devices to digital-only options, then develop a strategy to adapt.

*Reflection:* 
"I understand that preferences are changing, but what might be driving this? Is it primarily cost, or are there other factors such as convenience or sustainability?"

*Creative Perspective:* 
"Could there be a larger trend in digital minimalism or a preference for eco-friendly solutions that we’re missing? What unseen motivations might explain this shift?"

**2.2 Analyze the Information:**
There are multiple possible factors driving this shift, from economic influences to cultural shifts. It’s essential to isolate each factor and understand its impact.

*Reflection:* 
"Am I fully considering the various economic and social influences? Could there be a technological factor, like better internet speeds, that makes digital-only products more accessible?"

*Creative Perspective:* 
"Are there patterns or trends in other markets that could shed light on this shift? Could this be part of a larger trend toward virtual experiences?"

**2.3 Generate Hypotheses:**
1. Customers prefer digital options due to lower costs. (Confidence: 0.8, Creative: 0.4)
2. There’s a growing trend toward minimalism and reduced physical clutter. (Confidence: 0.7, Creative: 0.7)
3. Digital products offer greater flexibility and ease of use. (Confidence: 0.6, Creative: 0.6)
4. Environmental concerns are pushing consumers away from physical goods. (Confidence: 0.6, Creative: 0.8)
5. Advances in tech make digital-only options more functional. (Confidence: 0.8, Creative: 0.5)
6. Pandemic-era remote work increased demand for digital solutions. (Confidence: 0.7, Creative: 0.6)
7. Media coverage of the environmental impact of physical devices affects preferences. (Confidence: 0.5, Creative: 0.7)
8. There’s an increase in global digital literacy, expanding market access. (Confidence: 0.6, Creative: 0.6)
9. Customers view digital as more convenient and scalable for future needs. (Confidence: 0.7, Creative: 0.5)
10. Younger consumers prefer the aesthetics and convenience of digital products. (Confidence: 0.6, Creative: 0.6)

*Reflection:* 
"Have I considered all possible influences? Are there any surprising factors that could explain this shift?"

*Creative Perspective:* 
"Could specific social trends, like the rise of influencer culture or digital-first lifestyles, be influencing customer choices?"

**2.4 Anticipate Future Steps and Obstacles:**
*Objective:* Anticipate possible challenges, such as resistance from segments still preferring physical products.

*Reflection:* 
"What market obstacles might we face if we shift our focus to digital-only? Are there sub-segments that still prioritize physical products?"

*Creative Perspective:* 
"Could expanding digital options help us reach a more global audience? Are there emerging trends that we could leverage in our strategy?"

[end sys2]

[sys1]
To address this shift, consider a strategy that incorporates both digital-only offerings and educational campaigns about the benefits of digital solutions.
Use insights from customer feedback and current trends to guide product development.
Focus on flexibility and adaptation to cater to different customer segments.
[end sys1]


Related literature {#sec1}
==================

For details and applications of thia­zolidine-4-ones, see: Dutta *et al.* (1990[@bb6]); Jadhav & Ingle (1978[@bb8]); Gursoy *et al.* (2005[@bb7]); Rawal *et al.* (2007[@bb10]); Shrivastava *et al.* (2005[@bb12]); Look *et al.* (1996[@bb9]); Anders *et al.* (2001[@bb1]); Barreca *et al.* (2001[@bb2]); Diurno *et al.* (1992[@bb5]). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986[@bb4]).

Experimental {#sec2}
============

 {#sec2.1}

### Crystal data {#sec2.1.1}

C~14~H~13~NO~2~S*M* *~r~* = 259.31Monoclinic,*a* = 13.2901 (2) Å*b* = 9.6360 (1) Å*c* = 9.9152 (1) Åβ = 102.855 (1)°*V* = 1237.95 (3) Å^3^*Z* = 4Mo *K*α radiationμ = 0.25 mm^−1^*T* = 100 K0.30 × 0.18 × 0.16 mm

### Data collection {#sec2.1.2}

Bruker SMART APEXII CCD area-detector diffractometerAbsorption correction: multi-scan (*SADABS*; Bruker, 2009[@bb3]) *T* ~min~ = 0.928, *T* ~max~ = 0.96113239 measured reflections3551 independent reflections2794 reflections with *I* \> 2σ(*I*)*R* ~int~ = 0.028

### Refinement {#sec2.1.3}

*R*\[*F* ^2^ \> 2σ(*F* ^2^)\] = 0.046*wR*(*F* ^2^) = 0.104*S* = 1.073551 reflections180 parametersH-atom parameters constrainedΔρ~max~ = 0.43 e Å^−3^Δρ~min~ = −0.35 e Å^−3^

 {#d5e452}

Data collection: *APEX2* (Bruker, 2009[@bb3]); cell refinement: *SAINT* (Bruker, 2009[@bb3]); data reduction: *SAINT*; program(s) used to solve structure: *SHELXTL* (Sheldrick, 2008[@bb11]); program(s) used to refine structure: *SHELXTL*; molecular graphics: *SHELXTL*; software used to prepare material for publication: *SHELXTL* and *PLATON* (Spek, 2009[@bb13]).

Supplementary Material
======================

Crystal structure: contains datablock(s) global, I. DOI: [10.1107/S1600536811039432/rz2640sup1.cif](http://dx.doi.org/10.1107/S1600536811039432/rz2640sup1.cif)

Structure factors: contains datablock(s) I. DOI: [10.1107/S1600536811039432/rz2640Isup2.hkl](http://dx.doi.org/10.1107/S1600536811039432/rz2640Isup2.hkl)

Supplementary material file. DOI: [10.1107/S1600536811039432/rz2640Isup3.cml](http://dx.doi.org/10.1107/S1600536811039432/rz2640Isup3.cml)

Additional supplementary materials: [crystallographic information](http://scripts.iucr.org/cgi-bin/sendsupfiles?rz2640&file=rz2640sup0.html&mime=text/html); [3D view](http://scripts.iucr.org/cgi-bin/sendcif?rz2640sup1&Qmime=cif); [checkCIF report](http://scripts.iucr.org/cgi-bin/paper?rz2640&checkcif=yes)

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: [RZ2640](http://scripts.iucr.org/cgi-bin/sendsup?rz2640)).

HKF and MH thank the Malaysian Government and Universiti Sains Malaysia for the Research University Grant No. 1001/PFIZIK/811160. MH also thanks Universiti Sains Malaysia for a post-doctoral research fellowship.

Comment
=======

One of the main objectives of organic and medicinal chemistry is the design, synthesis and production of molecules having value as human therapeutic agents. During the past decade, combinatorial chemistry has provided access to chemical libraries based on privileged structures with heterocyclic moiety receiving special attention as they belong to a class of compounds with proven utility in medicinal chemistry. There are numerous biologically active molecules with five membered rings containing two hetero atoms. Among them, thiazolidin-4-ones are the most extensively investigated class of compounds, which have many interesting activity profiles namely bactericidal (Dutta *et al.*, 1990), antifungal (Jadhav & Ingle, 1978), anticonvulsant (Gursoy *et al.*, 2005), anti-HIV (Rawal *et al.*, 2007), antituberculotic (Shrivastava *et al.*, 2005), COX-1 inhibitors (Look *et al.*, 1996), inhibitors of the bacterial enzyme MurB (Anders *et al.*, 2001), non-nucleoside inhibitors of HIV-RT (Barreca *et al.*, 2001) and anti-histaminic agents (Diurno *et al.*, 1992).

The molecular structure of the title compound is shown in Fig. 1. The thiazolidine (S1/N1/C5--C7) ring is approximately planar, with a maximum deviation of 0.112 (1) Å for atom S1. The furan ring is disordered over two orientations, with an occupancy ratio of 0.901 (5):0.099 (5). The central thiazolidine ring makes dihedral angles of 85.43 (8)°, 87.50 (11) and 87.9 (9)° with the terminal phenyl (C9--C14) ring and the major (O1/C1--C4) and minor (O1X/C1X--C3X/C4) components of the disordered furan ring, respectively. In the crystal structure (Fig. 2), the molecules are connected by weak intermolecular C---H···O (Table 1) hydrogen bonds forming supramolecular chains parallel to the *b*-axis.

Experimental {#experimental}
============

To a well ground intimate mixture of triphenylphosphine (1.1 mmol) and furfuraldehyde, (1.0 mmol) in a microwave vial (10 ml) equipped with a magnetic stirring bar, benzylazide (0.2 g, 1.0 mmol) was added dropwise with stirring. Stirring was continued until liberation of nitrogen ceased and then mercaptoacetic acid, (1.1 mmol), was added to the above mixture and the reaction vessel was sealed with a septum. It was then placed into the cavity of a focused monomode microwave reactor (CEM Discover, benchmate) and operated at 150°C (temperature monitored by a built-in IR sensor), power 80W for 10 minutes. The reaction temperature was maintained by modulating the power level of the reactor. The reaction mixture was allowed to stand at room temperature. The residue was then purified by column chromatography on silica (petrolium/ether-ethylacetate, 94:6 *v*/*v*) to afford 3-benzyl-2-(furan-2-yl)thiazolidin-4-one. Yield: 0.36 g (94%); M.p: 150--151°C. Crystals suitable for X-ray analysis were obtained by slow evaporation of an ethanol solution.

Refinement {#refinement}
==========

All hydrogen atoms were positioned geometrically \[C--H = 0.93--0.98 Å\] and were refined using a riding model, with *U*~iso~(H) = 1.2 *U*~eq~(C). The furan ring is disordered over two orientations, with an occupancy ratio of 0.901 (5):0.099 (5).

Figures
=======

![An ORTEP view of the title compound, showing 50% probability displacement ellipsoids. Open bonds indicate the mino component of the disordered furan ring.](e-67-o2807-fig1){#Fap1}

![Crystal packing of the title compound viewed along the c axis. Only the major component of the disordered furan ring is shown.](e-67-o2807-fig2){#Fap2}

Crystal data {#tablewrapcrystaldatalong}
============

  ------------------------- ---------------------------------------
  C~14~H~13~NO~2~S          *F*(000) = 544
  *M~r~* = 259.31           *D*~x~ = 1.391 Mg m^−3^
  Monoclinic, *P*2~1~/*c*   Mo *K*α radiation, λ = 0.71073 Å
  Hall symbol: -P 2ybc      Cell parameters from 5111 reflections
  *a* = 13.2901 (2) Å       θ = 2.6--29.8°
  *b* = 9.6360 (1) Å        µ = 0.25 mm^−1^
  *c* = 9.9152 (1) Å        *T* = 100 K
  β = 102.855 (1)°          Block, colourless
  *V* = 1237.95 (3) Å^3^    0.30 × 0.18 × 0.16 mm
  *Z* = 4                   
  ------------------------- ---------------------------------------

Data collection {#tablewrapdatacollectionlong}
===============

  ------------------------------------------------------------ --------------------------------------
  Bruker SMART APEXII CCD area-detector diffractometer         3551 independent reflections
  Radiation source: fine-focus sealed tube                     2794 reflections with *I* \> 2σ(*I*)
  graphite                                                     *R*~int~ = 0.028
  φ and ω scans                                                θ~max~ = 29.9°, θ~min~ = 1.6°
  Absorption correction: multi-scan (*SADABS*; Bruker, 2009)   *h* = −18→18
  *T*~min~ = 0.928, *T*~max~ = 0.961                           *k* = −9→13
  13239 measured reflections                                   *l* = −10→13
  ------------------------------------------------------------ --------------------------------------

Refinement {#tablewraprefinementdatalong}
==========

  ------------------------------------- -------------------------------------------------------------------------------------------------
  Refinement on *F*^2^                  Primary atom site location: structure-invariant direct methods
  Least-squares matrix: full            Secondary atom site location: difference Fourier map
  *R*\[*F*^2^ \> 2σ(*F*^2^)\] = 0.046   Hydrogen site location: inferred from neighbouring sites
  *wR*(*F*^2^) = 0.104                  H-atom parameters constrained
  *S* = 1.07                            *w* = 1/\[σ^2^(*F*~o~^2^) + (0.0277*P*)^2^ + 1.0975*P*\] where *P* = (*F*~o~^2^ + 2*F*~c~^2^)/3
  3551 reflections                      (Δ/σ)~max~ = 0.001
  180 parameters                        Δρ~max~ = 0.43 e Å^−3^
  0 restraints                          Δρ~min~ = −0.35 e Å^−3^
  ------------------------------------- -------------------------------------------------------------------------------------------------

Special details {#specialdetails}
===============

  ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
  Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K.
  Geometry. All s.u.\'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.\'s are taken into account individually in the estimation of s.u.\'s in distances, angles and torsion angles; correlations between s.u.\'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.\'s is used for estimating s.u.\'s involving l.s. planes.
  Refinement. Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ \> 2σ(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.
  ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å^2^) {#tablewrapcoords}
==================================================================================================

  ------ -------------- -------------- --------------- -------------------- ------------
         *x*            *y*            *z*             *U*~iso~\*/*U*~eq~   Occ. (\<1)
  S1     0.94899 (3)    0.23126 (5)    0.26095 (5)     0.02134 (12)         
  O2     0.82632 (10)   0.47724 (13)   −0.03755 (13)   0.0249 (3)           
  N1     0.78175 (10)   0.28671 (15)   0.07263 (15)    0.0176 (3)           
  C1     0.85886 (16)   −0.1044 (3)    −0.0489 (2)     0.0257 (6)           0.901 (5)
  H1A    0.8838         −0.1380        −0.1231         0.031\*              0.901 (5)
  C2     0.8142 (2)     −0.1838 (3)    0.0346 (3)      0.0234 (7)           0.901 (5)
  H2A    0.8031         −0.2791        0.0288          0.028\*              0.901 (5)
  C3     0.78759 (17)   −0.0901 (2)    0.1338 (2)      0.0218 (5)           0.901 (5)
  H3A    0.7556         −0.1132        0.2051          0.026\*              0.901 (5)
  O1     0.86228 (11)   0.0324 (2)     −0.00892 (16)   0.0228 (4)           0.901 (5)
  C1X    0.7671 (17)    −0.190 (2)     0.096 (2)       0.030 (5)\*          0.099 (5)
  H1XA   0.7404         −0.2758        0.1125          0.036\*              0.099 (5)
  C2X    0.828 (2)      −0.160 (3)     0.004 (3)       0.016 (6)\*          0.099 (5)
  H2XA   0.8446         −0.2253        −0.0560         0.019\*              0.099 (5)
  C3X    0.8599 (19)    −0.030 (3)     0.009 (3)       0.031 (6)\*          0.099 (5)
  H3XA   0.9034         0.0087         −0.0426         0.037\*              0.099 (5)
  O1X    0.7542 (15)    −0.060 (2)     0.1596 (18)     0.038 (5)\*          0.099 (5)
  C4     0.81768 (12)   0.03740 (19)   0.10405 (18)    0.0188 (3)           
  C5     0.81880 (12)   0.17612 (18)   0.17059 (18)    0.0174 (3)           
  H5A    0.7748         0.1722         0.2378          0.021\*              
  C6     0.95721 (13)   0.3595 (2)     0.1314 (2)      0.0241 (4)           
  H6A    0.9851         0.4456         0.1751          0.029\*              
  H6B    1.0020         0.3270         0.0730          0.029\*              
  C7     0.84910 (12)   0.38244 (18)   0.04616 (17)    0.0177 (3)           
  C8     0.67229 (12)   0.29307 (19)   0.00708 (18)    0.0196 (4)           
  H8A    0.6477         0.2000         −0.0195         0.024\*              
  H8B    0.6634         0.3482         −0.0766         0.024\*              
  C9     0.60718 (12)   0.35483 (17)   0.09945 (17)    0.0164 (3)           
  C10    0.64856 (13)   0.44688 (19)   0.20516 (18)    0.0209 (4)           
  H10A   0.7185         0.4682         0.2227          0.025\*              
  C11    0.58667 (13)   0.50767 (19)   0.28530 (18)    0.0218 (4)           
  H11A   0.6152         0.5694         0.3555          0.026\*              
  C12    0.48236 (13)   0.4757 (2)     0.25993 (19)    0.0229 (4)           
  H12A   0.4407         0.5156         0.3134          0.027\*              
  C13    0.44033 (13)   0.3840 (2)     0.1546 (2)      0.0257 (4)           
  H13A   0.3704         0.3625         0.1374          0.031\*              
  C14    0.50243 (13)   0.32405 (19)   0.07495 (19)    0.0213 (4)           
  H14A   0.4737         0.2627         0.0045          0.026\*              
  ------ -------------- -------------- --------------- -------------------- ------------

Atomic displacement parameters (Å^2^) {#tablewrapadps}
=====================================

  ----- -------------- ------------- ------------- -------------- -------------- ---------------
        *U*^11^        *U*^22^       *U*^33^       *U*^12^        *U*^13^        *U*^23^
  S1    0.01828 (19)   0.0221 (2)    0.0216 (2)    0.00020 (16)   0.00008 (15)   −0.00073 (18)
  O2    0.0310 (7)     0.0178 (7)    0.0270 (7)    0.0029 (5)     0.0089 (5)     0.0037 (5)
  N1    0.0153 (6)     0.0165 (7)    0.0208 (7)    0.0019 (5)     0.0037 (5)     0.0018 (6)
  C1    0.0270 (10)    0.0223 (12)   0.0268 (11)   0.0083 (9)     0.0033 (9)     −0.0086 (10)
  C2    0.0199 (12)    0.0136 (13)   0.0337 (17)   −0.0003 (9)    −0.0006 (11)   0.0005 (11)
  C3    0.0173 (9)     0.0179 (11)   0.0290 (11)   −0.0006 (8)    0.0021 (8)     0.0011 (9)
  O1    0.0266 (8)     0.0204 (10)   0.0232 (8)    0.0048 (7)     0.0093 (6)     −0.0014 (7)
  C4    0.0153 (7)     0.0204 (9)    0.0202 (8)    0.0026 (6)     0.0027 (6)     0.0002 (7)
  C5    0.0155 (7)     0.0170 (8)    0.0203 (8)    0.0019 (6)     0.0051 (6)     0.0021 (7)
  C6    0.0187 (8)     0.0208 (10)   0.0330 (10)   −0.0017 (7)    0.0061 (7)     0.0024 (8)
  C7    0.0206 (7)     0.0131 (8)    0.0204 (8)    0.0020 (6)     0.0069 (6)     −0.0021 (7)
  C8    0.0159 (7)     0.0207 (9)    0.0211 (8)    0.0018 (6)     0.0018 (6)     −0.0019 (7)
  C9    0.0176 (7)     0.0118 (8)    0.0189 (8)    0.0022 (6)     0.0020 (6)     0.0031 (6)
  C10   0.0160 (7)     0.0223 (9)    0.0230 (9)    0.0014 (6)     0.0011 (6)     −0.0005 (7)
  C11   0.0238 (8)     0.0201 (9)    0.0206 (8)    0.0029 (7)     0.0026 (7)     −0.0028 (7)
  C12   0.0232 (8)     0.0204 (9)    0.0266 (9)    0.0070 (7)     0.0089 (7)     0.0035 (7)
  C13   0.0174 (8)     0.0254 (10)   0.0355 (10)   −0.0007 (7)    0.0081 (7)     0.0001 (8)
  C14   0.0200 (8)     0.0151 (9)    0.0277 (9)    −0.0039 (6)    0.0032 (7)     −0.0031 (7)
  ----- -------------- ------------- ------------- -------------- -------------- ---------------

Geometric parameters (Å, °) {#tablewrapgeomlong}
===========================

  ----------------------- -------------- ----------------------- --------------
  S1---C6                 1.8032 (19)    O1X---C4                1.453 (18)
  S1---C5                 1.8410 (16)    C4---C5                 1.489 (2)
  O2---C7                 1.226 (2)      C5---H5A                0.9800
  N1---C7                 1.351 (2)      C6---C7                 1.512 (2)
  N1---C5                 1.452 (2)      C6---H6A                0.9700
  N1---C8                 1.457 (2)      C6---H6B                0.9700
  C1---C2                 1.357 (4)      C8---C9                 1.515 (2)
  C1---O1                 1.375 (3)      C8---H8A                0.9700
  C1---H1A                0.9300         C8---H8B                0.9700
  C2---C3                 1.436 (4)      C9---C10                1.390 (2)
  C2---H2A                0.9300         C9---C14                1.391 (2)
  C3---C4                 1.344 (3)      C10---C11               1.394 (2)
  C3---H3A                0.9300         C10---H10A              0.9300
  O1---C4                 1.380 (2)      C11---C12               1.387 (2)
  C1X---C2X               1.37 (3)       C11---H11A              0.9300
  C1X---O1X               1.43 (3)       C12---C13               1.387 (3)
  C1X---H1XA              0.9300         C12---H12A              0.9300
  C2X---C3X               1.32 (4)       C13---C14               1.389 (3)
  C2X---H2XA              0.9300         C13---H13A              0.9300
  C3X---C4                1.36 (3)       C14---H14A              0.9300
  C3X---H3XA              0.9300                                 
                                                                 
  C6---S1---C5            92.90 (8)      C4---C5---H5A           108.6
  C7---N1---C5            119.36 (13)    S1---C5---H5A           108.6
  C7---N1---C8            121.58 (15)    C7---C6---S1            107.31 (12)
  C5---N1---C8            119.06 (14)    C7---C6---H6A           110.3
  C2---C1---O1            110.8 (2)      S1---C6---H6A           110.3
  C2---C1---H1A           124.6          C7---C6---H6B           110.3
  O1---C1---H1A           124.6          S1---C6---H6B           110.3
  C1---C2---C3            105.7 (2)      H6A---C6---H6B          108.5
  C1---C2---H2A           127.1          O2---C7---N1            124.45 (15)
  C3---C2---H2A           127.1          O2---C7---C6            123.23 (16)
  C4---C3---C2            107.1 (2)      N1---C7---C6            112.32 (15)
  C4---C3---H3A           126.5          N1---C8---C9            113.27 (14)
  C2---C3---H3A           126.5          N1---C8---H8A           108.9
  C1---O1---C4            105.93 (18)    C9---C8---H8A           108.9
  C2X---C1X---O1X         105 (2)        N1---C8---H8B           108.9
  C2X---C1X---H1XA        127.6          C9---C8---H8B           108.9
  O1X---C1X---H1XA        127.6          H8A---C8---H8B          107.7
  C3X---C2X---C1X         114 (3)        C10---C9---C14          118.73 (16)
  C3X---C2X---H2XA        122.9          C10---C9---C8           121.56 (15)
  C1X---C2X---H2XA        122.9          C14---C9---C8           119.66 (15)
  C2X---C3X---C4          107 (2)        C9---C10---C11          120.90 (16)
  C2X---C3X---H3XA        126.4          C9---C10---H10A         119.5
  C4---C3X---H3XA         126.4          C11---C10---H10A        119.5
  C1X---O1X---C4          105.1 (15)     C12---C11---C10         119.73 (17)
  C3---C4---C3X           84.6 (13)      C12---C11---H11A        120.1
  C3---C4---O1            110.41 (18)    C10---C11---H11A        120.1
  C3X---C4---O1X          108.5 (14)     C13---C12---C11         119.79 (16)
  O1---C4---O1X           132.6 (8)      C13---C12---H12A        120.1
  C3---C4---C5            134.18 (18)    C11---C12---H12A        120.1
  C3X---C4---C5           140.1 (13)     C12---C13---C14         120.16 (16)
  O1---C4---C5            115.28 (16)    C12---C13---H13A        119.9
  O1X---C4---C5           111.3 (8)      C14---C13---H13A        119.9
  N1---C5---C4            113.19 (14)    C13---C14---C9          120.68 (17)
  N1---C5---S1            104.82 (11)    C13---C14---H14A        119.7
  C4---C5---S1            112.97 (11)    C9---C14---H14A         119.7
  N1---C5---H5A           108.6                                  
                                                                 
  O1---C1---C2---C3       0.1 (2)        O1---C4---C5---N1       49.22 (19)
  C1---C2---C3---C4       −0.1 (2)       O1X---C4---C5---N1      −121.5 (8)
  C2---C1---O1---C4       0.0 (2)        C3---C4---C5---S1       105.7 (2)
  O1X---C1X---C2X---C3X   4(3)           C3X---C4---C5---S1      −57.9 (17)
  C1X---C2X---C3X---C4    −2(3)          O1---C4---C5---S1       −69.72 (17)
  C2X---C1X---O1X---C4    −4(2)          O1X---C4---C5---S1      119.6 (8)
  C2---C3---C4---C3X      −6.0 (11)      C6---S1---C5---N1       −16.21 (12)
  C2---C3---C4---O1       0.1 (2)        C6---S1---C5---C4       107.48 (13)
  C2---C3---C4---O1X      153.3 (18)     C5---S1---C6---C7       15.65 (13)
  C2---C3---C4---C5       −175.46 (19)   C5---N1---C7---O2       177.75 (16)
  C2X---C3X---C4---C3     8.7 (19)       C8---N1---C7---O2       −3.4 (3)
  C2X---C3X---C4---O1     −159 (4)       C5---N1---C7---C6       −2.0 (2)
  C2X---C3X---C4---O1X    −1(2)          C8---N1---C7---C6       176.90 (15)
  C2X---C3X---C4---C5     177.0 (13)     S1---C6---C7---O2       169.34 (14)
  C1---O1---C4---C3       0.0 (2)        S1---C6---C7---N1       −10.94 (18)
  C1---O1---C4---C3X      14 (2)         C7---N1---C8---C9       −99.90 (19)
  C1---O1---C4---O1X      −15.4 (10)     C5---N1---C8---C9       78.97 (19)
  C1---O1---C4---C5       176.43 (14)    N1---C8---C9---C10      25.8 (2)
  C1X---O1X---C4---C3     −18.8 (11)     N1---C8---C9---C14      −157.01 (16)
  C1X---O1X---C4---C3X    3.0 (18)       C14---C9---C10---C11    −0.1 (3)
  C1X---O1X---C4---O1     16.1 (18)      C8---C9---C10---C11     177.10 (16)
  C1X---O1X---C4---C5     −175.3 (11)    C9---C10---C11---C12    0.3 (3)
  C7---N1---C5---C4       −110.10 (17)   C10---C11---C12---C13   −0.3 (3)
  C8---N1---C5---C4       70.99 (19)     C11---C12---C13---C14   0.1 (3)
  C7---N1---C5---S1       13.44 (18)     C12---C13---C14---C9    0.1 (3)
  C8---N1---C5---S1       −165.46 (12)   C10---C9---C14---C13    −0.1 (3)
  C3---C4---C5---N1       −135.4 (2)     C8---C9---C14---C13     −177.32 (17)
  C3X---C4---C5---N1      61.0 (17)                              
  ----------------------- -------------- ----------------------- --------------

Hydrogen-bond geometry (Å, °) {#tablewraphbondslong}
=============================

  ------------------ --------- --------- ----------- ---------------
  *D*---H···*A*      *D*---H   H···*A*   *D*···*A*   *D*---H···*A*
  C2---H2A···O2^i^   0.93      2.48      3.355 (3)   158
  ------------------ --------- --------- ----------- ---------------

Symmetry codes: (i) *x*, *y*−1, *z*.

###### Hydrogen-bond geometry (Å, °)

  *D*---H⋯*A*        *D*---H   H⋯*A*   *D*⋯*A*     *D*---H⋯*A*
  ------------------ --------- ------- ----------- -------------
  C2---H2*A*⋯O2^i^   0.93      2.48    3.355 (3)   158

Symmetry code: (i) .

[^1]: Thomson Reuters ResearcherID: A-3561-2009.