Cyano­methanaminium perchlorate

Quan, J.

doi:10.1107/S1600536812047782

Volume 68
Part 12
Page o3480
December 2012

Received 18 November 2012
Accepted 21 November 2012
Online 30 November 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R = 0.034
wR = 0.096
Data-to-parameter ratio = 15.7
Details

Cyanomethanaminium perchlorate

Jing Quan ^a ^*

^aDepartment of Applied Chemistry, Nanjing College of Chemical Technology, Nanjing 210048, People's Republic of China
Correspondence e-mail: quanjnjcc@126.com

In the crystal of the title salt, C₂H₅N₂⁺·ClO₄^-, the cations and anions are connected via N-HO and C-HO hydrogen bonds, forming a three-dimensional network.

Related literature

For general background, see: Haertling (1999); Homes et al. (2001). For a related structure, see: Han & Zhang (2010).

Experimental

Crystal data

C₂H₅N₂⁺·ClO₄^-
M_r = 156.53
Orthorhombic, P b c a
a = 9.908 (2) Å
b = 10.398 (2) Å
c = 11.176 (2) Å
V = 1151.4 (4) Å³
Z = 8
Mo K radiation
= 0.61 mm^-1
T = 293 K
0.20 × 0.19 × 0.18 mm

Data collection

Rigaku Mercury2 diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) T_min = 0.88, T_max = 0.90
10965 measured reflections
1321 independent reflections
1151 reflections with I > 2(I)
R_int = 0.044

Refinement

R[F² > 2(F²)] = 0.034
wR(F²) = 0.096
S = 1.12
1321 reflections
84 parameters
H-atom parameters constrained
_max = 0.40 e Å^-3
_min = -0.37 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1CO1ⁱ	0.89	2.10	2.920 (2)	152
N1-H1DO4	0.89	2.03	2.919 (2)	175
N1-H1EO2ⁱⁱ	0.89	2.10	2.914 (3)	152
C1-H1AO1ⁱⁱⁱ	0.97	2.49	3.456 (3)	172
C1-H1BO3^iv	0.97	2.57	3.532 (3)	169
Symmetry codes: (i) $[x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (ii) $[x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z+1]$ ; (iii) $[-x+{\script{1\over 2}}, -y+1, z+{\script{1\over 2}}]$ ; (iv) -x+1, -y+1, -z+1.

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5654 ).

References

Haertling, G. H. (1999). J. Am. Ceram. Soc. 82, 797-810.
Han, M. T. & Zhang, Y. (2010). Acta Cryst. E66, o1941.
Homes, C. C., Vogt, T., Shapiro, S. M., Wakimoto, S. & Ramirez, A. P. (2001). Science, 293, 673-676.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

organic compounds