Polarized Ethylenes: Structure of 2-Benzoyl-3-dimethylamino-3-methylthlo-2-propenenitrile

Adhikesavalu, D and Venkatesan, K (1981) Polarized Ethylenes: Structure of 2-Benzoyl-3-dimethylamino-3-methylthlo-2-propenenitrile. In: Acta Crystallographica Section B-Structural, 37 (Nov). 2048 -2051.

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Abstract

C13H14N2OS, M r = 246, is monoclinic, P21/c, with a = 7.214(1), b = 8.935(5), c = 20.243 (6) A, fl =99.42 (2) °, V = 1304.83 ,~3, Z = 4, D m = 1.23, D x =1.25 Mg m -3, p(Mo Ka, 2 = 0.7107 A) = 0.232 mm -~,F(000) = 520. The structure was solved by direct methods and refined to an R value of 0.042 using 1127 intensity measurements. The C=C and C-N bond distances differ considerably from their normal values. An appreciable rotation [38.3(4) °] about the C=C bond is observed, the bond length being 1.414(5)A.This is due to the combination of push-pull and steric effects.

Item Type:	Journal Article
Publication:	Acta Crystallographica Section B-Structural
Publisher:	International Union of Crystallography
Additional Information:	Copyright of this article belongs to International Union of Crystallography.
Department/Centre:	Division of Chemical Sciences > Organic Chemistry
Date Deposited:	09 Feb 2010 06:23
Last Modified:	29 Feb 2012 06:59
URI:	http://eprints.iisc.ac.in/id/eprint/20116

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