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 the uses and biological importance of chromenes, see: Ercole *et al.* (2009[@bb2]); Geen *et al.* (1996[@bb4]); Khan *et al.* (2010[@bb5]); Raj *et al.* (2010[@bb6]).

Experimental   {#sec2}
==============

Crystal data   {#sec2.1}
--------------

C~14~H~13~N~3~O~4~*M* *~r~* = 287.27Orthorhombic,*a* = 24.0182 (13) Å*b* = 26.8445 (14) Å*c* = 7.9140 (4) Å*V* = 5102.6 (5) Å^3^*Z* = 16Mo *K*α radiationμ = 0.11 mm^−1^*T* = 293 K0.35 × 0.30 × 0.25 mm

Data collection   {#sec2.2}
-----------------

Bruker SMART APEXII CCD diffractometerAbsorption correction: multi-scan (*SADABS*; Bruker, 2008[@bb1]) *T* ~min~ = 0.962, *T* ~max~ = 0.97212952 measured reflections2261 independent reflections2096 reflections with *I* \> 2σ(*I*)*R* ~int~ = 0.021

Refinement   {#sec2.3}
------------

*R*\[*F* ^2^ \> 2σ(*F* ^2^)\] = 0.030*wR*(*F* ^2^) = 0.076*S* = 1.042261 reflections192 parameters1 restraintH atoms treated by a mixture of independent and constrained refinementΔρ~max~ = 0.11 e Å^−3^Δρ~min~ = −0.14 e Å^−3^

 {#d5e492}

Data collection: *APEX2* (Bruker, 2008[@bb1]); cell refinement: *SAINT* (Bruker, 2008[@bb1]); data reduction: *SAINT*; program(s) used to solve structure: *SHELXS97* (Sheldrick, 2008[@bb7]); program(s) used to refine structure: *SHELXL97* (Sheldrick, 2008[@bb7]); molecular graphics: *ORTEP-3 for Windows* (Farrugia, 2012[@bb3]); software used to prepare material for publication: *SHELXL97* and *PLATON* (Spek, 2009[@bb8]).

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

Crystal structure: contains datablock(s) global, I. DOI: [10.1107/S2056989015018241/hb7515sup1.cif](http://dx.doi.org/10.1107/S2056989015018241/hb7515sup1.cif)

Structure factors: contains datablock(s) I. DOI: [10.1107/S2056989015018241/hb7515Isup2.hkl](http://dx.doi.org/10.1107/S2056989015018241/hb7515Isup2.hkl)

###### 

Click here for additional data file.

Supporting information file. DOI: [10.1107/S2056989015018241/hb7515Isup3.cml](http://dx.doi.org/10.1107/S2056989015018241/hb7515Isup3.cml)

###### 

Click here for additional data file.

. DOI: [10.1107/S2056989015018241/hb7515fig1.tif](http://dx.doi.org/10.1107/S2056989015018241/hb7515fig1.tif)

Mol­ecular structure of the title compound, with displacement ellipsoids drawn at the 30% probability level.

###### 

Click here for additional data file.

. DOI: [10.1107/S2056989015018241/hb7515fig2.tif](http://dx.doi.org/10.1107/S2056989015018241/hb7515fig2.tif)

Viewed down the c axis of the crystal packing of the title compound. The hydrogen bonds are shown as dashed lines (see Table 1 for details)

CCDC reference: [1421106](http://scripts.iucr.org/cgi-bin/cr.cgi?rm=csd&csdid=1421106)

Additional supporting information: [crystallographic information](http://scripts.iucr.org/cgi-bin/sendsupfiles?hb7515&file=hb7515sup0.html&mime=text/html); [3D view](http://scripts.iucr.org/cgi-bin/sendcif?hb7515sup1&Qmime=cif); [checkCIF report](http://scripts.iucr.org/cgi-bin/paper?hb7515&checkcif=yes)

Supporting information for this paper is available from the IUCr electronic archives (Reference: [HB7515](http://scripts.iucr.org/cgi-bin/sendsup?hb7515)).

The authors thank Department of Chemistry, IIT, Chennai, India, for X-ray intensity data collection.

S1. Comment {#comment}
===========

Chromene derivatives are very important heterocyclic compounds that have a variety of industrial, biological and chemical synthesis applications (Geen *et al.*, 1996; Ercole *et al.*, 2009). They exhibit a number of pharmacological activities such as anti-HIV, anti-inflammatory, anti-bacterial, anti-allergic, anti-cancer *etc*. (Khan *et al.*, 2010; Raj *et al.*, 2010). Against this backround, X-ray analysis of the title compound has been carried out to study its structural aspects.

The molecular structure of the title molecule is shown in Fig. 1. The pyran ring (C1---C7---O4---C8---C13---C14) adopts a envelope conformation with the deviation of atoms O4 and C14 from the mean plane through atoms (C1---C7---C8---C13) being 0.475 and −0.095 Å, respectively. The smallest displacement asymmetry parameters q~2~ and q~3~ are 0.421 (17) and −0.219 (17) Å. The ring parameters Q and phase angle θ are 0.475 (16) Å and 117.5 (2)°, respectively. The dihedral angle between the mean planes of the chromeno ring system (fusion of benzene and pyran rings) and the pyridine ring is 29.37 (7)°. The pyridine ring mean planes forms a dihedral angle of 31.22 (8)° with phenyl ring (C8---C13). The atoms O3 deviates by −0.295 Å from the chromeno ring mean plane (O4/C1---C7).

An intramolecular N---H···O and N---H···N interaction occurs. In the crystal, molecules are linked by C---H···O hydrogen bonds, forming inversion dimers with an *R*~2~^2^(8) ring motif. The molecules are linked *via* C---H···O hydrogen bonds, forming ribbons along \[110\] dirction. There are a number of π---π interactions present linking the ribbons and forming a three dimensional structure \[*Cg*2---*Cg*3^i^ =3.6529 (10) Å, *Cg*2---*Cg*3^ii^ = 3.6871 (10) Å and *Cg*3---*Cg*2^iii^ = 3.6528 (10) Å; where *Cg*2 and *Cg*3 are the centroids of the N3/C4/C3/C2/C1/C7 and C8/C13 rings, respectively; symmetry codes: (i) −*x*,-*y*,-*z*; (ii) 1/4 + *x*,1/4 − *y*, 1/4 + *z*; (iii) −1/4 + *x*,1/4 − *y*,-1/4 + *z*\].

S2. Experimental {#experimental}
================

A mixture of 3-formylchromone (1 mmol), *N*,*N*\'-dimethyl-2-nitroethene-1, 1-diamine (1 mmol) in ethanol (3 ml) and a catalytic amount (0.050 mmol) of In(OTf)~3~ was added and refluxed for about 30 minutes. The product was purified by column chromatography (5/95% Ethylacetate/petether) to afford the pure product in 94% yield. The purified compound was recrystalized from DMSO-D~6~ by using slow evaporation method to yield colourless blocks.

S3. Refinement {#refinement}
==============

N and C-bound H atoms were positioned geometrically (C--H = 0.93--0.98 Å) and allowed to ride on their parent atoms, with *U*~iso~(H) = 1.5*U*~eq~(C) for methyl H atoms and 1.2*U*~eq~(C) for all other H atoms.

Figures
=======

![Molecular structure of the title compound, with displacement ellipsoids drawn at the 30% probability level.](e-71-0o824-fig1){#Fap1}

![Viewed down the c axis of the crystal packing of the title compound. The hydrogen bonds are shown as dashed lines (see Table 1 for details)](e-71-0o824-fig2){#Fap2}

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

  ----------------------- ---------------------------------------
  C~14~H~13~N~3~O~4~      *F*(000) = 2400
  *M~r~* = 287.27         *D*~x~ = 1.496 Mg m^−3^
  Orthorhombic, *Fdd*2    Mo *K*α radiation, λ = 0.71073 Å
  Hall symbol: F 2 -2d    Cell parameters from 2096 reflections
  *a* = 24.0182 (13) Å    θ = 2.3--25.0°
  *b* = 26.8445 (14) Å    µ = 0.11 mm^−1^
  *c* = 7.9140 (4) Å      *T* = 293 K
  *V* = 5102.6 (5) Å^3^   Block, colourless
  *Z* = 16                0.35 × 0.30 × 0.25 mm
  ----------------------- ---------------------------------------

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

  ------------------------------------------------------------ --------------------------------------
  Bruker SMART APEXII CCD diffractometer                       2261 independent reflections
  Radiation source: fine-focus sealed tube                     2096 reflections with *I* \> 2σ(*I*)
  Graphite monochromator                                       *R*~int~ = 0.021
  ω and φ scans                                                θ~max~ = 25.0°, θ~min~ = 2.3°
  Absorption correction: multi-scan (*SADABS*; Bruker, 2008)   *h* = −27→28
  *T*~min~ = 0.962, *T*~max~ = 0.972                           *k* = −31→31
  12952 measured reflections                                   *l* = −9→9
  ------------------------------------------------------------ --------------------------------------

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*\[*F*^2^ \> 2σ(*F*^2^)\] = 0.030   Hydrogen site location: inferred from neighbouring sites
  *wR*(*F*^2^) = 0.076                  H atoms treated by a mixture of independent and constrained refinement
  *S* = 1.04                            *w* = 1/\[σ^2^(*F*~o~^2^) + (0.0468*P*)^2^ + 1.3678*P*\] where *P* = (*F*~o~^2^ + 2*F*~c~^2^)/3
  2261 reflections                      (Δ/σ)~max~ \< 0.001
  192 parameters                        Δρ~max~ = 0.11 e Å^−3^
  1 restraint                           Δρ~min~ = −0.14 e Å^−3^
  ------------------------------------- -------------------------------------------------------------------------------------------------

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

  -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
  Geometry. All e.s.d.\'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.\'s are taken into account individually in the estimation of e.s.d.\'s in distances, angles and torsion angles; correlations between e.s.d.\'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.\'s is used for estimating e.s.d.\'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^ \> σ(*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~   
  C1    0.03152 (7)    0.07119 (6)   0.5103 (2)     0.0316 (4)           
  C2    0.07422 (7)    0.05817 (6)   0.6093 (2)     0.0348 (4)           
  H2    0.0673         0.0483        0.7200         0.042\*              
  C3    0.12950 (7)    0.05908 (6)   0.5492 (2)     0.0348 (4)           
  C4    0.14101 (7)    0.07284 (6)   0.3758 (2)     0.0323 (4)           
  C5    0.21801 (8)    0.07230 (9)   0.1521 (3)     0.0562 (6)           
  H5A   0.1937         0.0565        0.0723         0.084\*              
  H5B   0.2531         0.0551        0.1543         0.084\*              
  H5C   0.2239         0.1063        0.1193         0.084\*              
  C6    0.10471 (8)    0.10996 (8)   0.1107 (2)     0.0514 (5)           
  H6A   0.1378         0.1300        0.1095         0.077\*              
  H6B   0.0731         0.1305        0.0853         0.077\*              
  H6C   0.1078         0.0841        0.0275         0.077\*              
  C7    0.04068 (6)    0.08867 (6)   0.33547 (19)   0.0305 (4)           
  H7    0.0273         0.1231        0.3273         0.037\*              
  C8    −0.04681 (7)   0.05675 (6)   0.2547 (2)     0.0315 (4)           
  C9    −0.08276 (7)   0.04527 (7)   0.1229 (2)     0.0400 (4)           
  H9    −0.0692        0.0389        0.0149         0.048\*              
  C10   −0.13915 (8)   0.04360 (7)   0.1563 (3)     0.0439 (5)           
  H10   −0.1637        0.0361        0.0691         0.053\*              
  C11   −0.16010 (8)   0.05281 (7)   0.3162 (3)     0.0428 (5)           
  H11   −0.1983        0.0528        0.3352         0.051\*              
  C12   −0.12390 (8)   0.06192 (7)   0.4459 (3)     0.0403 (4)           
  H12   −0.1377        0.0669        0.5543         0.048\*              
  C13   −0.06647 (7)   0.06394 (6)   0.4184 (2)     0.0333 (4)           
  C14   −0.02720 (8)   0.06748 (6)   0.5610 (2)     0.0353 (4)           
  O1    0.22180 (6)    0.04252 (6)   0.6136 (2)     0.0619 (4)           
  O2    0.15774 (6)    0.02632 (7)   0.79971 (18)   0.0710 (5)           
  O3    −0.04181 (6)   0.06418 (6)   0.70928 (16)   0.0523 (4)           
  O4    0.00911 (5)    0.05848 (4)   0.21703 (15)   0.0356 (3)           
  N1    0.17083 (7)    0.04246 (6)   0.6569 (2)     0.0458 (4)           
  N2    0.19283 (6)    0.07078 (5)   0.3198 (2)     0.0409 (4)           
  H2A   0.2169         0.0679        0.3996         0.049\*              
  N3    0.09766 (5)    0.08753 (5)   0.27888 (17)   0.0339 (3)           
  ----- -------------- ------------- -------------- -------------------- --

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

  ----- ------------- ------------- ------------- ------------- ------------- -------------
        *U*^11^       *U*^22^       *U*^33^       *U*^12^       *U*^13^       *U*^23^
  C1    0.0321 (9)    0.0326 (9)    0.0300 (9)    0.0013 (7)    −0.0007 (7)   −0.0038 (7)
  C2    0.0399 (10)   0.0385 (9)    0.0262 (9)    −0.0023 (7)   −0.0043 (7)   −0.0041 (7)
  C3    0.0317 (9)    0.0351 (9)    0.0376 (9)    0.0000 (7)    −0.0096 (8)   −0.0021 (7)
  C4    0.0279 (9)    0.0299 (8)    0.0392 (9)    −0.0020 (7)   −0.0050 (8)   −0.0021 (8)
  C5    0.0371 (11)   0.0692 (14)   0.0622 (13)   0.0076 (9)    0.0087 (10)   0.0000 (12)
  C6    0.0379 (10)   0.0763 (14)   0.0399 (10)   0.0030 (9)    0.0018 (9)    0.0174 (10)
  C7    0.0282 (9)    0.0317 (8)    0.0315 (8)    0.0012 (6)    −0.0022 (7)   −0.0017 (7)
  C8    0.0280 (9)    0.0310 (9)    0.0356 (9)    0.0027 (6)    −0.0001 (7)   0.0029 (7)
  C9    0.0395 (10)   0.0425 (10)   0.0378 (9)    −0.0006 (8)   −0.0079 (8)   −0.0006 (8)
  C10   0.0364 (10)   0.0426 (10)   0.0527 (12)   −0.0032 (8)   −0.0143 (9)   0.0029 (9)
  C11   0.0283 (10)   0.0424 (10)   0.0577 (12)   0.0009 (8)    −0.0010 (9)   0.0047 (9)
  C12   0.0334 (9)    0.0393 (10)   0.0483 (11)   0.0010 (8)    0.0041 (9)    0.0015 (8)
  C13   0.0318 (9)    0.0304 (8)    0.0376 (9)    0.0028 (7)    0.0014 (8)    0.0007 (7)
  C14   0.0376 (10)   0.0344 (9)    0.0338 (10)   0.0029 (7)    0.0032 (8)    −0.0027 (8)
  O1    0.0335 (8)    0.0824 (10)   0.0697 (11)   0.0039 (7)    −0.0197 (7)   0.0028 (9)
  O2    0.0627 (10)   0.1090 (14)   0.0414 (8)    0.0052 (9)    −0.0172 (7)   0.0141 (9)
  O3    0.0468 (8)    0.0771 (11)   0.0330 (7)    0.0008 (7)    0.0074 (6)    −0.0042 (7)
  O4    0.0274 (7)    0.0480 (7)    0.0315 (6)    −0.0005 (5)   −0.0014 (5)   −0.0065 (5)
  N1    0.0422 (10)   0.0525 (10)   0.0427 (10)   0.0006 (7)    −0.0168 (8)   −0.0015 (8)
  N2    0.0252 (8)    0.0485 (9)    0.0492 (9)    −0.0011 (6)   −0.0038 (7)   −0.0018 (8)
  N3    0.0263 (7)    0.0419 (8)    0.0334 (8)    0.0003 (6)    −0.0005 (6)   0.0026 (6)
  ----- ------------- ------------- ------------- ------------- ------------- -------------

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

  ----------------------- -------------- ---------------------- --------------
  C1---C2                 1.337 (2)      C7---O4                1.4527 (19)
  C1---C14                1.470 (2)      C7---H7                0.9800
  C1---C7                 1.478 (2)      C8---O4                1.3767 (19)
  C2---C3                 1.410 (2)      C8---C9                1.389 (2)
  C2---H2                 0.9300         C8---C13               1.392 (2)
  C3---N1                 1.383 (2)      C9---C10               1.381 (3)
  C3---C4                 1.448 (3)      C9---H9                0.9300
  C4---N2                 1.322 (2)      C10---C11              1.384 (3)
  C4---N3                 1.352 (2)      C10---H10              0.9300
  C5---N2                 1.459 (3)      C11---C12              1.367 (3)
  C5---H5A                0.9600         C11---H11              0.9300
  C5---H5B                0.9600         C12---C13              1.398 (2)
  C5---H5C                0.9600         C12---H12              0.9300
  C6---N3                 1.471 (2)      C13---C14              1.474 (2)
  C6---H6A                0.9600         C14---O3               1.228 (2)
  C6---H6B                0.9600         O1---N1                1.271 (2)
  C6---H6C                0.9600         O2---N1                1.250 (2)
  C7---N3                 1.440 (2)      N2---H2A               0.8600
                                                                
  C2---C1---C14           123.98 (15)    O4---C8---C13          121.86 (15)
  C2---C1---C7            121.15 (15)    C9---C8---C13          121.26 (16)
  C14---C1---C7           114.82 (14)    C10---C9---C8          118.23 (18)
  C1---C2---C3            121.34 (16)    C10---C9---H9          120.9
  C1---C2---H2            119.3          C8---C9---H9           120.9
  C3---C2---H2            119.3          C9---C10---C11         121.74 (18)
  N1---C3---C2            117.53 (16)    C9---C10---H10         119.1
  N1---C3---C4            121.99 (16)    C11---C10---H10        119.1
  C2---C3---C4            120.25 (15)    C12---C11---C10        119.15 (17)
  N2---C4---N3            123.19 (16)    C12---C11---H11        120.4
  N2---C4---C3            119.11 (15)    C10---C11---H11        120.4
  N3---C4---C3            117.71 (15)    C11---C12---C13        121.18 (18)
  N2---C5---H5A           109.5          C11---C12---H12        119.4
  N2---C5---H5B           109.5          C13---C12---H12        119.4
  H5A---C5---H5B          109.5          C8---C13---C12         118.32 (16)
  N2---C5---H5C           109.5          C8---C13---C14         120.29 (15)
  H5A---C5---H5C          109.5          C12---C13---C14        120.99 (16)
  H5B---C5---H5C          109.5          O3---C14---C1          122.65 (16)
  N3---C6---H6A           109.5          O3---C14---C13         122.98 (17)
  N3---C6---H6B           109.5          C1---C14---C13         114.19 (15)
  H6A---C6---H6B          109.5          C8---O4---C7           112.85 (13)
  N3---C6---H6C           109.5          O2---N1---O1           119.09 (16)
  H6A---C6---H6C          109.5          O2---N1---C3           119.25 (16)
  H6B---C6---H6C          109.5          O1---N1---C3           121.65 (16)
  N3---C7---O4            106.47 (12)    C4---N2---C5           133.91 (16)
  N3---C7---C1            115.21 (13)    C4---N2---H2A          113.0
  O4---C7---C1            110.46 (13)    C5---N2---H2A          113.0
  N3---C7---H7            108.2          C4---N3---C7           124.17 (14)
  O4---C7---H7            108.2          C4---N3---C6           122.96 (15)
  C1---C7---H7            108.2          C7---N3---C6           112.47 (13)
  O4---C8---C9            116.82 (15)                           
                                                                
  C14---C1---C2---C3      175.22 (15)    C2---C1---C14---C13    −156.47 (16)
  C7---C1---C2---C3       −2.0 (3)       C7---C1---C14---C13    20.9 (2)
  C1---C2---C3---N1       −176.57 (17)   C8---C13---C14---O3    −165.56 (17)
  C1---C2---C3---C4       −1.9 (2)       C12---C13---C14---O3   7.0 (3)
  N1---C3---C4---N2       −1.9 (2)       C8---C13---C14---C1    9.7 (2)
  C2---C3---C4---N2       −176.32 (15)   C12---C13---C14---C1   −177.78 (15)
  N1---C3---C4---N3       178.45 (15)    C9---C8---O4---C7      157.13 (15)
  C2---C3---C4---N3       4.0 (2)        C13---C8---O4---C7     −25.6 (2)
  C2---C1---C7---N3       3.6 (2)        N3---C7---O4---C8      −179.19 (12)
  C14---C1---C7---N3      −173.86 (14)   C1---C7---O4---C8      55.05 (17)
  C2---C1---C7---O4       124.28 (17)    C2---C3---N1---O2      1.8 (3)
  C14---C1---C7---O4      −53.19 (18)    C4---C3---N1---O2      −172.78 (17)
  O4---C8---C9---C10      −179.54 (16)   C2---C3---N1---O1      −179.23 (17)
  C13---C8---C9---C10     3.2 (2)        C4---C3---N1---O1      6.2 (3)
  C8---C9---C10---C11     −0.2 (3)       N3---C4---N2---C5      −14.2 (3)
  C9---C10---C11---C12    −2.6 (3)       C3---C4---N2---C5      166.2 (2)
  C10---C11---C12---C13   2.5 (3)        N2---C4---N3---C7      178.08 (15)
  O4---C8---C13---C12     179.59 (16)    C3---C4---N3---C7      −2.3 (2)
  C9---C8---C13---C12     −3.3 (2)       N2---C4---N3---C6      −9.7 (2)
  O4---C8---C13---C14     −7.7 (2)       C3---C4---N3---C6      169.90 (16)
  C9---C8---C13---C14     169.44 (16)    O4---C7---N3---C4      −124.20 (15)
  C11---C12---C13---C8    0.4 (3)        C1---C7---N3---C4      −1.4 (2)
  C11---C12---C13---C14   −172.27 (16)   O4---C7---N3---C6      62.89 (17)
  C2---C1---C14---O3      18.8 (3)       C1---C7---N3---C6      −174.29 (15)
  C7---C1---C14---O3      −163.82 (17)                          
  ----------------------- -------------- ---------------------- --------------

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

  --------------------- --------- --------- ----------- ---------------
  *D*---H···*A*         *D*---H   H···*A*   *D*···*A*   *D*---H···*A*
  N2---H2*A*···O1       0.86      1.83      2.543 (2)   139
  C5---H5*A*···O2^i^    0.96      2.46      3.376 (3)   159
  C5---H5*C*···O3^ii^   0.96      2.51      3.416 (3)   157
  C6---H6*A*···O3^ii^   0.96      2.55      3.429 (2)   152
  C9---H9···O3^i^       0.93      2.60      3.455 (2)   154
  --------------------- --------- --------- ----------- ---------------

Symmetry codes: (i) *x*, *y*, *z*−1; (ii) *x*+1/4, −*y*+1/4, *z*−3/4.

###### Hydrogen-bond geometry (, )

  *D*H*A*         *D*H   H*A*   *D* *A*    *D*H*A*
  --------------- ------ ------ ---------- ---------
  N2H2*A*O1       0.86   1.83   2.543(2)   139
  C5H5*A*O2^i^    0.96   2.46   3.376(3)   159
  C5H5*C*O3^ii^   0.96   2.51   3.416(3)   157
  C6H6*A*O3^ii^   0.96   2.55   3.429(2)   152
  C9H9O3^i^       0.93   2.60   3.455(2)   154

Symmetry codes: (i) ; (ii) .