Structure of ethylenediammonium 3,5-dinitrobenzoate

Nethaji, M and Pattabhi, V and Chhabra, N and Poonia, NS (1992) Structure of ethylenediammonium 3,5-dinitrobenzoate. In: Acta Crystallographica, Section C: Crystal Structure Communications, 48 (12). pp. 2207-2209.

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Abstract

$0.5C_2H_{10}N^2_2+.C_7H_3N_20^-_6$, $M_r$ = 242.17, triclinic, Pl, a = 6.737 (1), b = 7.803 (7), c = 10.444 (1) $\AA$, $\alpha$= 94.767 (8), $\beta$ = 108.30 (1), $\gamma = 97.43 (1)^0$, V= 512.4 (2) $\AA^3$, Z = 2, $D_x$ = 1.570 g $cm^{-3}$, $\lambda$(Mo K$\alpha$) = 0.7107 $\AA$, $\mu = 1.282 cm^{-1}$, F(000)= 250, room temperature, R = 0.046, wR = 0.054 for 2396 observed reflections with $F_0 \geq 5.0\sigma(F_0)$. The molecular complex in the lattice is extensively bonded through intermolecular and intramolecular hydrogen bonds with at least one O atom of each dinitrobenzoate substituent and each H atom of the ethylenediamine molecule hydrogen bonded through short $(N-H...O 2.66-2.70 \AA)$ and long $(C-H...O 3.27-3.47 \AA)$ bonds: the shortest are the N--H... O(COOH) hydrogen bonds and the longest are the $C-H...O(NO_2)$ interactions. The molecules are stacked along the a and b axes with intermolecular distances of 3.744 (2) and 3.650 (2) $\AA$, respectively.

Item Type:	Journal Article
Publication:	Acta Crystallographica, Section C: Crystal Structure Communications
Publisher:	Blackwell Synergy
Additional Information:	Copyright of this article belongs to Blackwell Synergy
Keywords:	Ethylenediammonium;Dinitrobenzoate;molecular complex
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	12 Feb 2008
Last Modified:	19 Sep 2010 04:41
URI:	http://eprints.iisc.ac.in/id/eprint/12739

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