STRUCTURE OF ETHYLENEDIAMMONIUM 3,5-DINITROBENZOATE

被引:14
|
作者
NETHAJI, M
PATTABHI, V
CHHABRA, N
POONIA, NS
机构
[1] UNIV MADRAS,DEPT CRYSTALLOG & BIOPHYS,MADRAS 600025,TAMIL NADU,INDIA
[2] INDIAN INST SCI,DIV INORGAN & PHYS CHEM,BANGALORE 560012,KARNATAKA,INDIA
[3] DEVI AHILYA VISHWA VIDYALAYA,SCH CHEM,INDORE,INDIA
关键词
D O I
10.1107/S0108270192004190
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
0.5C2H10N22+.C7H3N2O6-, M(r) = 242.17, triclinic, P1BAR, a = 6.737(1), b = 7.803 (7), c = 10.444 (1) angstrom, alpha = 94.767 (8), beta = 108.30 (1), gamma= 97.43 (1)-degrees, V = 512.4(2) angstrom3, Z = 2, D(x) = 1.570 g cm-3, lambda(Mo Kalpha) = 0.7107 angstrom, mu = 1.282 cm-1, F(000) = 250, room temperature, R = 0.046, wR = 0.054 for 2396 observed reflections with F(o) greater-than-or-equal-to 5.0sigma(F(o)). The molecular complex in the lattice is extensively bonded through intermolecular and intramolecular hydrogen bonds with at least one 0 atom of each dinitrobenzoate substituent and each H atom of the ethylenediamine molecule hydrogen bonded through,short (N-H...0 2.66-2.70 angstrom) and long (C-H...O 3.27-3.47 angstrom) bonds: the shortest are the N-H...O(COOH) hydrogen bonds and the longest are the C-H...O(NO2) interactions. The molecules are stacked along the a and b axes with intermolecular distances of 3.744 (2) and 3.650 (2) angstrom, respectively.
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页码:2207 / 2209
页数:3
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