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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 [sigma](C-C) = 0.003 Å
R = 0.034
wR = 0.096
Data-to-parameter ratio = 15.7
Details
Open access

Cyanomethanaminium perchlorate

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-H...O and C-H...O hydrogen bonds, forming a three-dimensional network.

Related literature

For general background, see: Haertling (1999[Haertling, G. H. (1999). J. Am. Ceram. Soc. 82, 797-810.]); Homes et al. (2001[Homes, C. C., Vogt, T., Shapiro, S. M., Wakimoto, S. & Ramirez, A. P. (2001). Science, 293, 673-676.]). For a related structure, see: Han & Zhang (2010[Han, M. T. & Zhang, Y. (2010). Acta Cryst. E66, o1941.]).

[Scheme 1]

Experimental

Crystal data
  • C2H5N2+·ClO4-

  • Mr = 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[alpha] radiation

  • [mu] = 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[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.88, Tmax = 0.90

  • 10965 measured reflections

  • 1321 independent reflections

  • 1151 reflections with I > 2[sigma](I)

  • Rint = 0.044

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.096

  • S = 1.12

  • 1321 reflections

  • 84 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.40 e Å-3

  • [Delta][rho]min = -0.37 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1C...O1i 0.89 2.10 2.920 (2) 152
N1-H1D...O4 0.89 2.03 2.919 (2) 175
N1-H1E...O2ii 0.89 2.10 2.914 (3) 152
C1-H1A...O1iii 0.97 2.49 3.456 (3) 172
C1-H1B...O3iv 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[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); 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.  [CrossRef] [ChemPort]
Han, M. T. & Zhang, Y. (2010). Acta Cryst. E66, o1941.  [CSD] [CrossRef] [details]
Homes, C. C., Vogt, T., Shapiro, S. M., Wakimoto, S. & Ramirez, A. P. (2001). Science, 293, 673-676.  [ISI] [CrossRef] [PubMed] [ChemPort]
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, o3480  [ doi:10.1107/S1600536812047782 ]

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