Structure and conformation of an anti-depressant drug, nitroxazepine hydrochloride monohydrate

Usha, R and Bhadbhade, MM and Venkatesan, K and Nagarajan, K and David, J (1982) Structure and conformation of an anti-depressant drug, nitroxazepine hydrochloride monohydrate. In: Acta Crystallographica Section B: Structural Crystallography and Crystal Chemistry, 38 (6). pp. 1854-1857.

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Abstract

CIsH20N3Oa+.C1-.H2 O, M r = 395, orthorhombic, Pn21a, a = 7.710 (4), b = 11.455 (3), c -- 21.199 (3)/k, Z = 4, V = 1872.4/k 3, D m = 1.38, D C = 1.403 g cm -3, F(000) = 832, g(Cu Kct) = 20.94 cm -l. Intensities for 1641 reflections were measured on a Nonius CAD-4 diffractometer; of these, 1470 were significant. The structure was solved by direct methods and refined to an R index of 0.045 using a blockdiagonal least-squares procedure. The angle between the least-squares planes through the benzene rings is 125.0 (5) ° and the side chain is folded similarly to one of the independent molecules of imipramine hydrochloride.

Item Type:	Journal Article
Publication:	Acta Crystallographica Section B: Structural Crystallography and Crystal Chemistry
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:	24 Dec 2009 11:01
Last Modified:	19 Sep 2010 05:43
URI:	http://eprints.iisc.ac.in/id/eprint/22898

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