(Methoxy­carbon­yl)hydrazinium chloride monohydrate

Xie, J.-W.; Lv, L.-P.; Yu, W.-B.; Li, W.-W.; Hu, X.-C.

doi:10.1107/S1600536808031474

Volume 64
Part 11
Page o2064
November 2008

Received 21 September 2008
Accepted 29 September 2008
Online 4 October 2008

Key indicators
Single-crystal X-ray study
T = 273 K
Mean (O-C) = 0.002 Å
R = 0.030
wR = 0.080
Data-to-parameter ratio = 14.9
Details

(Methoxycarbonyl)hydrazinium chloride monohydrate

Jian-Wu Xie,^a Lu-Ping Lv,^a Wen-Bo Yu,^a Wei-Wei Li ^a and Xian-Chao Hu ^b ^*

^aDepartment of Chemical Engineering, Hangzhou Vocational and Technical College, Hangzhou 310018, People's Republic of China, and ^bResearch Center of Analysis and Measurement, Zhejiang University of Technology, Hangzhou 310014, People's Republic of China
Correspondence e-mail: zgdhxc@126.com

In the title compound, C₂H₇N₂O₂⁺·Cl^-·H₂O, the non-H atoms of the cation are approximately coplanar. The organic cations, chloride ions and water molecules are linked into a two-dimensional network parallel to the bc plane by N-HO, N-HCl and O-HCl hydrogen bonds.

Related literature

For applications of benzaldehydehydrazone derivatives, see: Parashar et al. (1988); Hadjoudis et al. (1987). For the crystal structure of a nickel methylcarbazate complex, see: Song et al. (2003).

Experimental

Crystal data

C₂H₇N₂O₂⁺·Cl^-·H₂O
M_r = 144.56
Monoclinic, P 2₁ /c
a = 12.6621 (13) Å
b = 7.6444 (7) Å
c = 6.6948 (7) Å
= 97.199 (4)°
V = 642.91 (11) Å³
Z = 4
Mo K radiation
= 0.53 mm^-1
T = 123 (2) K
0.28 × 0.24 × 0.23 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2002) T_min = 0.861, T_max = 0.881
7105 measured reflections
1445 independent reflections
1360 reflections with I > 2(I)
R_int = 0.021

Refinement

R[F² > 2(F²)] = 0.030
wR(F²) = 0.080
S = 1.04
1445 reflections
97 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.59 e Å^-3
_min = -0.30 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1AO1W	0.92 (2)	1.84 (2)	2.743 (2)	167 (2)
N1-H1BCl1ⁱ	0.93 (2)	2.20 (2)	3.1152 (14)	168 (2)
N1-H1CO1ⁱⁱ	0.89 (2)	2.00 (2)	2.8443 (17)	158 (2)
O1W-H1WCl1ⁱⁱⁱ	0.85 (2)	2.41 (3)	3.2172 (16)	161 (3)
N2-H2Cl1^iv	0.86 (1)	2.33 (1)	3.1833 (13)	171 (2)
O1W-H2WCl1	0.82 (2)	2.58 (3)	3.1959 (14)	133 (3)
Symmetry codes: (i) x, y, z+1; (ii) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (iii) $[-x+1, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (iv) $[x, -y-{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CI2680 ).

Acknowledgements

The authors thank Hangzhou Vocational and Technical College, China, for financial support.

References

Bruker (2002). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Hadjoudis, E., Vittorakis, M. & Moustakali-Mavridis, J. (1987). Tetrahedron, 43, 1345-1360.
Parashar, R. K., Sharma, R. C., Kumar, A. & Mohanm, G. (1988). Inorg. Chim. Acta, 151, 201-208.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Song, J. C., Zhang, T. L., Zhang, J. G., Ma, G. X., Li, Y. F. & Yu, K. B. (2003). Huaxue Xuebao, 61, 1444-1448.

organic compounds