Melaminium perchlorate monohydrate

Zhao, M.M.; Shi, P.P.

doi:10.1107/S160053681001857X

Volume 66
Part 6
Page o1463
June 2010

Received 24 April 2010
Accepted 19 May 2010
Online 26 May 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (N-C) = 0.003 Å
R = 0.031
wR = 0.091
Data-to-parameter ratio = 12.6
Details

Melaminium perchlorate monohydrate

Min Min Zhao ^a ^* and Ping Ping Shi ^a

^aOrdered Matter Science Research Center, College of Chemistry and Chemical, Engineering, Southeast University, Nanjing 211189, People's Republic of China
Correspondence e-mail: zmmzyahfdzg@126.com

In the title hydrated salt, 2,4,6-triamino-1,3,5-triazin-1-ium perchlorate monohydrate, C₃H₇N₆⁺·ClO₄^-·H₂O, the constituents are linked via hydrogen bonds of the O-HO, N-HO, N-HN and N-HCl types. All the H atoms of the melaminium cation are involved in the hydrogen bonds. The melaminium residues are interconnected by four N-HN hydrogen bonds, forming chains parallel to (111). The ribbons are interconnected by other hydrogen bonds as well as by [pi] - [pi] interactions [centroid-centroid distance = 3.8097 (7) Å].

Related literature

For similar organic acid-base compounds, see: Martin & Pinkerton (1995); Perpétuo & Janczak (2006). For their ferroelectric properties, see: Hang et al. (2009), Li et al. (2008). For impedance studies, see; Uthrakumar et al. (2008).

Experimental

Crystal data

C₃H₇N₆⁺·ClO₄^-·H₂O
M_r = 244.61
Triclinic, $[P \overline 1]$
a = 5.654 (4) Å
b = 7.553 (7) Å
c = 11.893 (10) Å
= 102.72 (4)°
= 94.58 (3)°
= 110.78 (2)°
V = 456.1 (7) Å³
Z = 2
Mo K radiation
= 0.44 mm^-1
T = 293 K
0.20 × 0.20 × 0.20 mm

Data collection

Rigaku SCXmini diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) T_min = 0.916, T_max = 0.916
4902 measured reflections
2051 independent reflections
1719 reflections with I > 2(I)
R_int = 0.030

Refinement

R[F² > 2(F²)] = 0.031
wR(F²) = 0.091
S = 0.90
2051 reflections
163 parameters
10 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.29 e Å^-3
_min = -0.41 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H5BO4	0.85 (1)	2.16 (1)	2.960 (3)	158 (2)
O5-H5BO5ⁱ	0.85 (1)	2.64 (2)	3.081 (3)	114 (2)
O5-H5AO3ⁱⁱ	0.84 (1)	2.16 (1)	2.883 (3)	144 (2)
O5-H5AO2ⁱⁱⁱ	0.84 (1)	2.38 (2)	2.867 (3)	117 (1)
N1-H1BO1^iv	0.86 (1)	2.19 (1)	2.890 (2)	139 (2)
N1-H1BO5^iv	0.86 (1)	2.48 (2)	3.146 (3)	135 (2)
N1-H1AN6^v	0.86 (1)	2.14 (1)	2.998 (3)	178 (2)
N2-H2BO4ⁱⁱ	0.86 (1)	2.31 (1)	3.086 (3)	151 (2)
N2-H2BO2^vi	0.86 (1)	2.56 (2)	3.108 (3)	123 (2)
N2-H2AO2ⁱⁱⁱ	0.86 (1)	2.20 (1)	2.979 (3)	150 (2)
N2-H2ACl1ⁱⁱⁱ	0.86 (1)	2.99 (1)	3.792 (3)	157 (2)
N3-H3BN5^vii	0.85 (1)	2.23 (1)	3.084 (3)	173 (2)
N3-H3AO1^viii	0.86 (1)	2.19 (1)	3.029 (3)	168 (2)
N4-H4AO5^iv	0.84 (1)	1.90 (1)	2.723 (2)	168 (2)
Symmetry codes: (i) -x+3, -y+2, -z+2; (ii) -x+2, -y+2, -z+2; (iii) x, y-1, z; (iv) x-1, y, z; (v) -x+1, -y+2, -z+1; (vi) x-1, y-1, z; (vii) -x+2, -y+1, -z+1; (viii) -x+2, -y+2, -z+1.

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; 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: PRPKAPPA (Ferguson, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG2764 ).

Acknowledgements

The authors are grateful to the starter fund of Southeast University for financial support to buy the X-ray diffractometer.

References

Ferguson, G. (1999). PRPKAPPA. University of Guelph, Canada.
Hang, T., Fu, D. W., Ye, Q. & Xiong, R. G. (2009). Cryst. Growth Des. 5, 2026-2029.
Li, X. Z., Qu, Z. R. & Xiong, R. G. (2008). Chin. J. Chem. 11, 1959-1962.
Martin, A. & Pinkerton, A. A. (1995). Acta Cryst. C51, 2174-2177.
Perpétuo, G. J. & Janczak, J. (2006). Acta Cryst. C62, o372-o375.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Uthrakumar, R., Vesta, C., Raj, C. J., Dinakaran, S., Dhas, R. C. & Das, S. J. (2008). Cryst. Res. Technol. 43, 428-432.

organic compounds

Melaminium perchlorate monohydrate

Related literature

Experimental

Crystal data

Data collection

Refinement

Acknowledgements

References