<figure><img src="image_1.png" /></figure>

IUCrData

<figure><img src="image_2.png" /></figure>

IUCrData

ISSN 2414-3146

Received 25 March 2019

Accepted 12 April 2019

Edited by M. Weil, Vienna University of
Technology, Austria

Keywords: crystal structure; molybdate salt; propane-1,3-diammonium; hydrogen bonds.

CCDC reference: 1909766

Structural data: full structural data are available
from iucrdata.iucr.org

Propane-1,3-diammonium molybdate

Alioune Wane,ª Antoine Blaise Kama,ª Mouhamadou Birame Diop,ª* Libasse Diop,ª Laurent Plasseraudb and Hélène Catteyb

ªLaboratoire de Chimie Minérale et Analytique (LACHIMIA), Département de Chimie, Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar, Senegal, and ᵇICMUB UMR 6302, Université de Bourgogne, Faculté des Sciences, 9 avenue Alain Savary, 21000 Dijon, France. *Correspondence e-mail: mouhamadoubdiop@gmail.com

The reaction between equimolar amounts of propane-1,3-diamine and molybdenum trioxide in water led to the formation of single crystals of the title salt, (C₃H₁₂N₂)[MoO₄]. The asymmetric unit is comprised of one propane-1,3-diammonium cation and one molybdate anion. The latter is isolated in the structure and has a slightly distorted tetrahedral configuration. An extensive network of N—H···O hydrogen bonds connects anions and cations, giving rise to a compact three-dimensional packing.

3D view

<figure><img src="image_3.png" /></figure>

Chemical scheme

<figure><img src="image_4.png" /></figure>

Structure description

In recent decades, oxyanions of metals from groups 5 and 6 in the periodic table (polyoxometalates, POMs) have attracted great interest in many fields (catalysis, medicine, functional materials and photochemistry) and continue to be extensively studied for energy applications (An et al., 2018). This is particularly the case for molybdenum compounds which constitute suitable building blocks for the assembly of more complex and unusual structures (Süss-Fink et al., 1997; Plasseraud et al., 1999).

Numerous crystal structures of hetero- and polyoxidomolybdates are known from the literature (Li & Xu, 2011). For mononuclear molybdates with tetrahedral anions, the first crystal structure determination was reported for Na₂[MoO₄]·2H₂O (Lindqvist, 1950; Matsumoto et al., 1975), followed by the potassium compound K₂[MoO₄] (Gatehouse & Leverett, 1969). Ammonium salts of [MoO₄]²⁻ have also been isolated in the solid state and their crystal structures determined: (CH₆N₃)₂[MoO₄] (Ozeki et al., 1987), (C₆H₁₄N)₂[MoO₄] and (C₁₂H₂₆N)₂[MoO₄]·2H₂O (Thiele & Fuchs, 1979), (C₂H₁₀N₂)-[MoO₄] (Bensch et al., 1987), (C₄H₁₂NO)₂[MoO₄] (Sheikhshoaie & Ghazizadeh, 2013), (Cy₂NH₂)₂[MoO₄]·2H₂O (Pouye et al., 2014) and (I'Pr₂NH₂)₂[MoO₄] (Sarr et al., 2018). In this context and in continuation of our studies of interactions between organic ammo-
<table><caption>**Table 1**
Selected geometric parameters (Å, °).</caption><thead><tr><th></th><th></th><th></th><th></th></tr></thead><tbody><tr><td>Mo—O1</td><td>1.8035 (12)</td><td>Mo—O3</td><td>1.7548 (12)</td></tr><tr><td>Mo—O2</td><td>1.7536 (12)</td><td>Mo—O4</td><td>1.7547 (13)</td></tr><tr><td>O2—Mo—O1</td><td>108.69 (6)</td><td>O3—Mo—O1</td><td>109.06 (6)</td></tr><tr><td>O2—Mo—O3</td><td>108.94 (6)</td><td>O4—Mo—O1</td><td>111.04 (6)</td></tr><tr><td>O2—Mo—O4</td><td>109.52 (6)</td><td>O4—Mo—O3</td><td>109.55 (7)</td></tr></tbody></table>

nium cations and transition-metal or main-group metal anions (Pouye *et al.*, 2014; Diallo *et al.*, 2014), we report here the crystal structure of (C₃H₁₂N₂)[MoO₄], (I).

The asymmetric unit of (I) consists of a propane 1,3-diammonium cation and a molybdate anion (Fig. 1). Several crystal structures of salts containing the propane-1,3-diammonium dication are reported in the literature (e.g. Ayadi *et al.*, 2017; Kamoun *et al.*, 1992). Bond lengths and angles of the (C₃H₁₂N₂)²⁺ cation in (I) are in accordance with those reported previously for other oxidometalate salts, such as [(C₃H₁₂N₂)[Mo₃O₁₀]·2H₂O]n (Ding *et al.*, 2007) or (C₃H₁₂N₂)-[Cr₂O₇] (Trabelsi *et al.*, 2012). A search of the Cambridge Structural Database (WebCSD; Thomas *et al.*, 2010) revealed 30 crystal structures of salts involving the propane-1,3-diammonium cation associated with anions containing molybdenum. The [MoO₄]²⁻ anion in (I) exhibits a slightly distorted tetrahedral configuration. Three of the four Mo—O bond lengths (involving O2, O3 and O4; Table 1) are in the range of those reported in the literature (Bensch *et al.*, 1987; Sarr *et al.*, 2018). The fourth (involving O1; Table 1) is considerably

<figure><img src="image_5.png" /><figcaption>**Figure 1**</figcaption></figure>

The expanded asymmetric unit of (I). Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are shown as dotted lines. [Symmetry codes: (i) x, -y + ½, z - ½; (ii) -x + 2, y + ½, -z + ½; (iii) x - 1, -y + ½, z - ½; (iv) x - 1, y, z.]

<table><caption>**Table 2**
Hydrogen-bond geometry (Å, °).</caption><thead><tr><th>D—H···A</th><th>D—H</th><th>H···A</th><th>D···A</th><th>D—H···A</th></tr></thead><tbody><tr><td>N1—H1A···O3<sup>i</sup></td><td>0.91</td><td>1.85</td><td>2.7550 (19)</td><td>173</td></tr><tr><td>N1—H1B···O1</td><td>0.91</td><td>2.00</td><td>2.8512 (18)</td><td>156</td></tr><tr><td>N1—H1C···O2<sup>ii</sup></td><td>0.91</td><td>1.89</td><td>2.7670 (19)</td><td>163</td></tr><tr><td>N2—H2A···O1<sup>iii</sup></td><td>0.91</td><td>1.93</td><td>2.8048 (18)</td><td>162</td></tr><tr><td>N2—H2B···O1<sup>iv</sup></td><td>0.91</td><td>1.87</td><td>2.7690 (18)</td><td>170</td></tr><tr><td>N2—H2C···O4</td><td>0.91</td><td>1.80</td><td>2.6808 (19)</td><td>162</td></tr></tbody></table>

Symmetry codes: (i) x, -y + ½, z - ½; (ii) -x + 2, y + ½, -z + ½; (iii) x - 1, -y + ½, z - ½; (iv) x - 1, y, z.

longer because it is the acceptor atom of three hydrogen bonds, whereas the other O atoms are involved in only one hydrogen bond each. From a supramolecular point of view, the (C₃H₁₂N₂)²⁺ cations and [MoO₄]²⁻ anions are connected via several N—H···O hydrogen bonds, with D···A contacts ranging from 2.6808 (19) to 2.8512 (18) Å (Table 2). Each molybdate anion is surrounded by six propane-1,3-diammonium cations, and each of the cations is hydrogen bonded to five neighbouring anions. These interactions lead to a three-dimensional network structure (Fig. 2).

The crystal structure of the tetrathiomolybdate analog of (I), i.e. (C₃H₁₂N₂)[MoS₄] (Srinivasan *et al.*, 2005), is comprised of the same building units [an organic (C₃H₁₂N₂)²⁺ cation and a tetrahedral [MoS₄]²⁻ anion] but is not isotypic. However, the crystal structure of (C₃H₁₂N₂)[MoS₄] likewise is consolidated

<figure><img src="image_6.png" /><figcaption>**Figure 2**</figcaption></figure>

Partial packing diagram of (I), showing the intermolecular hydrogen-bonding scheme (dashed lines). Colour code: C dark grey, H white, O red, N blue and Mo blue metal.
<table><caption>**Table 3**

Experimental details.</caption><tbody><tr><td colspan="2">Crystal data</td></tr><tr><td>Chemical formula</td><td>(C<sub>3</sub>H<sub>12</sub>N<sub>2</sub>)[MoO<sub>4</sub>]</td></tr><tr><td>M<sub>r</sub></td><td>236.09</td></tr><tr><td>Crystal system, space group</td><td>Monoclinic, P2<sub>1</sub>/c</td></tr><tr><td>Temperature (K)</td><td>100</td></tr><tr><td>a, b, c (Å)</td><td>6.4849 (3), 14.7539 (7), 8.3224 (4)</td></tr><tr><td>β (°)</td><td>97.2950 (13)</td></tr><tr><td>V (Å<sup>3</sup>)</td><td>789.82 (6)</td></tr><tr><td>Z</td><td>4</td></tr><tr><td>Radiation type</td><td>Mo Kα</td></tr><tr><td>μ (mm<sup>-1</sup>)</td><td>1.63</td></tr><tr><td>Crystal size (mm)</td><td>0.55 × 0.45 × 0.30</td></tr><tr><td colspan="2">Data collection</td></tr><tr><td>Diffractometer</td><td>Bruker D8 Venture Cu</td></tr><tr><td>Absorption correction</td><td>Multi-scan (SADABS; Bruker, 2016)</td></tr><tr><td>T<sub>min</sub>, T<sub>max</sub></td><td>0.613, 0.746</td></tr><tr><td>No. of measured, independent and observed [I > 2σ(I)] reflections</td><td>11859, 1813, 1780</td></tr><tr><td>R<sub>int</sub></td><td>0.024</td></tr><tr><td>(sin θ/λ)<sub>max</sub> (Å<sup>-1</sup>)</td><td>0.651</td></tr><tr><td colspan="2">Refinement</td></tr><tr><td>R[F<sup>2</sup> > 2σ(F<sup>2</sup>)], wR(F<sup>2</sup>), S</td><td>0.016, 0.041, 1.11</td></tr><tr><td>No. of reflections</td><td>1813</td></tr><tr><td>No. of parameters</td><td>93</td></tr><tr><td>H-atom treatment</td><td>H-atom parameters constrained</td></tr><tr><td>Δρ<sub>max</sub>, Δρ<sub>min</sub> (e Å<sup>-3</sup>)</td><td>0.69, -0.48</td></tr></tbody></table>

Computer programs: *APEX3* (Bruker, 2016), *SAINT* (Bruker, 2016), *SHELXT* (Sheldrick, 2015a), *SHELXL2018* (Sheldrick, 2015b) and *OLEX2* (Dolomanov et al., 2009).

by hydrogen bonds between the cation and the anion (here of type N-H···S).

## Synthesis and crystallization

All chemicals were purchased from Sigma-Aldrich (Germany) and used without further purification. The title salt was prepared by mixing equimolar amounts of propane-1,3-diamine (0.50 g, 6.75 mmol) and molybdenum trioxide (0.97 g, 6.75 mmol) in 25 ml of water (75% yield). Colourless prismatic crystals, suitable for X-ray crystallographic analysis, were obtained by slow evaporation (10 d) at 333 K.

## Refinement

Crystal data, data collection and structure refinement details are summarized in Table 3.

## Acknowledgements

The authors gratefully acknowledge the Cheikh Anta Diop University of Dakar (Senegal), the Centre National de la Recherche Scientifique (CNRS, France) and the University of Bourgogne Franche-Comté (Dijon, France).

## References

An, S., Liu, J. C., Zhang, H., Wu, L., Qi, B. & Song, Y. F. (2018). *Sci. China Chem.* **61**, doi.org/10.1007/s11426-018-9378-4.

Ayadi, R., Lhoste, J., Rak, I. L., Mhiri, T. & Boujelbene, M. (2017). *J. Saudi Chem. Soc.* **21**, 869–877.

Bensch, W., Hug, P., Emmenegger, R., Reller, A. & Oswald, H. R. (1987). *Mater. Res. Bull.* **22**, 447–454.

Bruker (2016). *SADABS*, *SAINT* and *APEX3*. Bruker AXS Inc, Madison, Wisconsin, USA.

Diallo, W., Diop, L., Plasseraud, L. & Cattey, H. (2014). *Main Group Met. Chem.* **37**, 107–112.

Ding, C., Lin, B.-Z., Han, G.-H. & Bai, L. (2007). *Acta Cryst.* **C63**, m256–m258.

Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). *J. Appl. Cryst.* **42**, 339–341.

Gatehouse, B. M. & Leverett, P. (1969). *J. Chem. Soc. A*, pp. 849–854.

Kamoun, S., Jouini, A., Daoud, A., Durif, A. & Guitel, J. C. (1992). *Acta Cryst.* **C48**, 133–135.

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Lindqvist, I. (1950). *Acta Chem. Scand.* **4**, 1066–1074.

Matsumoto, K. Y., Kobayashi, A. & Sasaki, Y. (1975). *Bull. Chem. Soc. Jpn.* **48**, 1009–1013.

Ozeki, T., Ichida, H. & Sasaki, Y. (1987). *Acta Cryst.* **C43**, 2220–2221.

Plasseraud, L., Stoeckli-Evans, H. & Süss-Fink, G. (1999). *Inorg. Chem. Commun.* **2**, 344–346.

Pouye, S. F., Cisse, I., Diop, L., Molloy, K. C. & Kociok-Kohn, G. (2014). *Sci. Study Res. Chem. Chem. Eng. Biotechnol. Food Ind. (Univ. Bacau)* **15**, 091–094.

Sarr, B., Mbaye, A., Diop, C. A. K., Melin, F., Hellwig, P., Sidibé, M. & Rousselin, Y. (2018). *Acta Cryst.* **E74**, 1682–1685.

Sheikhshoaie, I. & Ghazizadeh, M. (2013). *Bull. Chem. Soc. Ethiop.* **27**, 69–76.

Sheldrick, G. M. (2015a). *Acta Cryst.* **A71**, 3–8.

Sheldrick, G. M. (2015b). *Acta Cryst.* **C71**, 3–8.

Srinivasan, B. R., Dhuri, S. N., Näther, C. & Bensch, W. (2005). *Inorg. Chim. Acta*, **358**, 279–287.

Süss-Fink, G., Plasseraud, L., Ferrand, V. & Stoeckli-Evans, H. (1997). *Chem. Commun.* pp. 1657–1658.

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Thomas, I. R., Bruno, I. J., Cole, J. C., Macrae, C. F., Pidcock, E. & Wood, P. A. (2010). *J. Appl. Cryst.* **43**, 362–366.

Trabelsi, S., Marouani, H., Al-Deyab, S. S. & Rzaigui, M. (2012). *Acta Cryst.* **E68**, m1056.
full crystallographic data

IUCrData (2019). **4**, x190500 [https://doi.org/10.1107/S2414314619005005]

Propane-1,3-diammonium molybdate

Alioune Wane, Antoine Blaise Kama, Mouhamadou Birame Diop, Libasse Diop, Laurent

Plasseraud and Hélène Cattey

Propane-1,3-diammonium molybdate

Crystal data

(C₃H₁₂N₂)[MoO₄]

M_r = 236.09

Monoclinic, P2₁/c

a = 6.4849 (3) Å

b = 14.7539 (7) Å

c = 8.3224 (4) Å

β = 97.2950 (13)°

V = 789.82 (6) Å³

Z = 4

F(000) = 472

Dₓ = 1.985 Mg m⁻³

Mo Kα radiation, λ = 0.71073 Å

Cell parameters from 9941 reflections

θ = 2.8–27.6°

μ = 1.63 mm⁻¹

T = 100 K

Prism, colourless

0.55 × 0.45 × 0.30 mm

Data collection

Bruker D8 Venture Cu
diffractometer

Radiation source: sealed X-ray tube, high
brilliance microfocus sealed tube, Cu

QUAZAR MX multilayer optics
monochromator

Detector resolution: 1024 x 1024 pixels mm⁻¹

φ and ω scans'

Absorption correction: multi-scan
(SADABS; Bruker, 2016)

T_min = 0.613, T_max = 0.746

11859 measured reflections

1813 independent reflections

1780 reflections with *I* > 2σ(*I*)

R_int = 0.024

θ<sub>max</sub> = 27.6°, θ<sub>min</sub> = 2.8°

h = -8→8

k = -19→19

l = -10→10

Refinement

Refinement on *F*²

Least-squares matrix: full

R[F² > 2σ(F²)] = 0.016

wR(F²) = 0.041

S = 1.11

1813 reflections

93 parameters

0 restraints

Hydrogen site location: inferred from
neighbouring sites

H-atom parameters constrained

w = 1/[σ²(F₀²) + (0.0135P)² + 1.0699P]
where P = (F₀² + 2Fₐ²)/3

(Δ/σ)max = 0.001

Δρ<sub>max</sub> = 0.69 e Å⁻³

Δρ<sub>min</sub> = -0.48 e Å⁻³

Special details

**Geometry.** All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
<table><caption>Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²)</caption><thead><tr><th></th><th>x</th><th>y</th><th>z</th><th>U<sub>iso</sub>*/U<sub>eq</sub></th></tr></thead><tbody><tr><td>N1</td><td>0.8168 (2)</td><td>0.43213 (10)</td><td>0.26436 (16)</td><td>0.0097 (3)</td></tr><tr><td>H1A</td><td>0.810512</td><td>0.429665</td><td>0.154588</td><td>0.012*</td></tr><tr><td>H1B</td><td>0.855824</td><td>0.377091</td><td>0.307292</td><td>0.012*</td></tr><tr><td>H1C</td><td>0.911423</td><td>0.474723</td><td>0.303924</td><td>0.012*</td></tr><tr><td>N2</td><td>0.2514 (2)</td><td>0.27700 (9)</td><td>0.08732 (17)</td><td>0.0100 (3)</td></tr><tr><td>H2A</td><td>0.183145</td><td>0.271475</td><td>-0.014722</td><td>0.012*</td></tr><tr><td>H2B</td><td>0.157872</td><td>0.275641</td><td>0.160109</td><td>0.012*</td></tr><tr><td>H2C</td><td>0.342784</td><td>0.230364</td><td>0.107595</td><td>0.012*</td></tr><tr><td>C1</td><td>0.6079 (3)</td><td>0.45664 (11)</td><td>0.3092 (2)</td><td>0.0123 (3)</td></tr><tr><td>H1D</td><td>0.554783</td><td>0.510294</td><td>0.245464</td><td>0.015*</td></tr><tr><td>H1E</td><td>0.622845</td><td>0.473537</td><td>0.425179</td><td>0.015*</td></tr><tr><td>C2</td><td>0.4506 (3)</td><td>0.38039 (12)</td><td>0.2796 (2)</td><td>0.0114 (3)</td></tr><tr><td>H2D</td><td>0.332328</td><td>0.393725</td><td>0.340245</td><td>0.014*</td></tr><tr><td>H2E</td><td>0.516258</td><td>0.323603</td><td>0.324156</td><td>0.014*</td></tr><tr><td>C3</td><td>0.3666 (3)</td><td>0.36483 (11)</td><td>0.1021 (2)</td><td>0.0109 (3)</td></tr><tr><td>H3A</td><td>0.272418</td><td>0.415035</td><td>0.062280</td><td>0.013*</td></tr><tr><td>H3B</td><td>0.482908</td><td>0.363095</td><td>0.035692</td><td>0.013*</td></tr><tr><td>Mo</td><td>0.83296 (2)</td><td>0.14663 (2)</td><td>0.25817 (2)</td><td>0.00677 (6)</td></tr><tr><td>O1</td><td>0.96985 (18)</td><td>0.25143 (8)</td><td>0.30707 (14)</td><td>0.0106 (2)</td></tr><tr><td>O2</td><td>0.9652 (2)</td><td>0.08535 (8)</td><td>0.12245 (15)</td><td>0.0143 (2)</td></tr><tr><td>O3</td><td>0.8303 (2)</td><td>0.08287 (9)</td><td>0.43589 (15)</td><td>0.0170 (3)</td></tr><tr><td>O4</td><td>0.5768 (2)</td><td>0.16715 (9)</td><td>0.17004 (17)</td><td>0.0179 (3)</td></tr></tbody></table>

<table><caption>Atomic displacement parameters (Å²)</caption><thead><tr><th></th><th>U<sup>11</sup></th><th>U<sup>22</sup></th><th>U<sup>33</sup></th><th>U<sup>12</sup></th><th>U<sup>13</sup></th><th>U<sup>23</sup></th></tr></thead><tbody><tr><td>N1</td><td>0.0096 (6)</td><td>0.0081 (6)</td><td>0.0110 (7)</td><td>0.0003 (5)</td><td>0.0000 (5)</td><td>-0.0004 (5)</td></tr><tr><td>N2</td><td>0.0087 (6)</td><td>0.0110 (6)</td><td>0.0097 (6)</td><td>0.0004 (5)</td><td>-0.0009 (5)</td><td>0.0004 (5)</td></tr><tr><td>C1</td><td>0.0108 (7)</td><td>0.0118 (7)</td><td>0.0143 (8)</td><td>0.0019 (6)</td><td>0.0014 (6)</td><td>-0.0042 (6)</td></tr><tr><td>C2</td><td>0.0114 (7)</td><td>0.0135 (8)</td><td>0.0091 (7)</td><td>-0.0010 (6)</td><td>0.0005 (6)</td><td>-0.0010 (6)</td></tr><tr><td>C3</td><td>0.0108 (7)</td><td>0.0112 (7)</td><td>0.0104 (8)</td><td>-0.0013 (6)</td><td>-0.0005 (6)</td><td>0.0009 (6)</td></tr><tr><td>Mo</td><td>0.00632 (8)</td><td>0.00583 (8)</td><td>0.00786 (8)</td><td>0.00055 (4)</td><td>-0.00030 (5)</td><td>0.00027 (4)</td></tr><tr><td>O1</td><td>0.0102 (5)</td><td>0.0090 (5)</td><td>0.0122 (5)</td><td>-0.0007 (4)</td><td>-0.0005 (4)</td><td>0.0001 (4)</td></tr><tr><td>O2</td><td>0.0168 (6)</td><td>0.0135 (6)</td><td>0.0126 (6)</td><td>0.0037 (5)</td><td>0.0017 (5)</td><td>-0.0017 (5)</td></tr><tr><td>O3</td><td>0.0243 (7)</td><td>0.0140 (6)</td><td>0.0131 (6)</td><td>-0.0004 (5)</td><td>0.0044 (5)</td><td>0.0040 (5)</td></tr><tr><td>O4</td><td>0.0104 (6)</td><td>0.0145 (6)</td><td>0.0270 (7)</td><td>0.0021 (5)</td><td>-0.0051 (5)</td><td>-0.0014 (5)</td></tr></tbody></table>

<table><caption>Geometric parameters (Å, °)</caption><tr><td>N1—H1A</td><td>0.9100</td><td>C1—C2</td><td>1.518 (2)</td></tr><tr><td>N1—H1B</td><td>0.9100</td><td>C2—H2D</td><td>0.9900</td></tr><tr><td>N1—H1C</td><td>0.9100</td><td>C2—H2E</td><td>0.9900</td></tr><tr><td>N1—C1</td><td>1.494 (2)</td><td>C2—C3</td><td>1.526 (2)</td></tr><tr><td>N2—H2A</td><td>0.9100</td><td>C3—H3A</td><td>0.9900</td></tr><tr><td>N2—H2B</td><td>0.9100</td><td>C3—H3B</td><td>0.9900</td></tr></table>
<table><tr><td>N2—H2C</td><td>0.9100</td><td>Mo—O1</td><td>1.8035 (12)</td></tr><tr><td>N2—C3</td><td>1.493 (2)</td><td>Mo—O2</td><td>1.7536 (12)</td></tr><tr><td>C1—H1D</td><td>0.9900</td><td>Mo—O3</td><td>1.7548 (12)</td></tr><tr><td>C1—H1E</td><td>0.9900</td><td>Mo—O4</td><td>1.7547 (13)</td></tr></table>

<table><caption>Hydrogen-bond geometry (Å, °)</caption><tr><td>H1A—N1—H1B</td><td>109.5</td><td>C1—C2—H2D</td><td>108.6</td></tr><tr><td>H1A—N1—H1C</td><td>109.5</td><td>C1—C2—H2E</td><td>108.6</td></tr><tr><td>H1B—N1—H1C</td><td>109.5</td><td>C1—C2—C3</td><td>114.72 (14)</td></tr><tr><td>C1—N1—H1A</td><td>109.5</td><td>H2D—C2—H2E</td><td>107.6</td></tr><tr><td>C1—N1—H1B</td><td>109.5</td><td>C3—C2—H2D</td><td>108.6</td></tr><tr><td>C1—N1—H1C</td><td>109.5</td><td>C3—C2—H2E</td><td>108.6</td></tr><tr><td>H2A—N2—H2B</td><td>109.5</td><td>N2—C3—C2</td><td>108.87 (13)</td></tr><tr><td>H2A—N2—H2C</td><td>109.5</td><td>N2—C3—H3A</td><td>109.9</td></tr><tr><td>H2B—N2—H2C</td><td>109.5</td><td>N2—C3—H3B</td><td>109.9</td></tr><tr><td>C3—N2—H2A</td><td>109.5</td><td>C2—C3—H3A</td><td>109.9</td></tr><tr><td>C3—N2—H2B</td><td>109.5</td><td>C2—C3—H3B</td><td>109.9</td></tr><tr><td>C3—N2—H2C</td><td>109.5</td><td>H3A—C3—H3B</td><td>108.3</td></tr><tr><td>N1—C1—H1D</td><td>109.0</td><td>O2—Mo—O1</td><td>108.69 (6)</td></tr><tr><td>N1—C1—H1E</td><td>109.0</td><td>O2—Mo—O3</td><td>108.94 (6)</td></tr><tr><td>N1—C1—C2</td><td>113.10 (13)</td><td>O2—Mo—O4</td><td>109.52 (6)</td></tr><tr><td>H1D—C1—H1E</td><td>107.8</td><td>O3—Mo—O1</td><td>109.06 (6)</td></tr><tr><td>C2—C1—H1D</td><td>109.0</td><td>O4—Mo—O1</td><td>111.04 (6)</td></tr><tr><td>C2—C1—H1E</td><td>109.0</td><td>O4—Mo—O3</td><td>109.55 (7)</td></tr><tr><td>N1—C1—C2—C3</td><td>-74.84 (18)</td><td>C1—C2—C3—N2</td><td>167.95 (13)</td></tr></table>

<table><thead><tr><th>D—H···A</th><th>D—H</th><th>H···A</th><th>D···A</th><th>D—H···A</th></tr></thead><tbody><tr><td>N1—H1A···O3<sup>i</sup></td><td>0.91</td><td>1.85</td><td>2.7550 (19)</td><td>173</td></tr><tr><td>N1—H1B···O1</td><td>0.91</td><td>2.00</td><td>2.8512 (18)</td><td>156</td></tr><tr><td>N1—H1C···O2<sup>ii</sup></td><td>0.91</td><td>1.89</td><td>2.7670 (19)</td><td>163</td></tr><tr><td>N2—H2A···O1<sup>iii</sup></td><td>0.91</td><td>1.93</td><td>2.8048 (18)</td><td>162</td></tr><tr><td>N2—H2B···O1<sup>iv</sup></td><td>0.91</td><td>1.87</td><td>2.7690 (18)</td><td>170</td></tr><tr><td>N2—H2C···O4</td><td>0.91</td><td>1.80</td><td>2.6808 (19)</td><td>162</td></tr></tbody></table>

Symmetry codes: (i) x, -y+1/2, z-1/2; (ii) -x+2, y+1/2, -z+1/2; (iii) x-1, -y+1/2, z-1/2; (iv) x-1, y, z.