Structure and conformation of an antidepressant drug, nitroxazepine hydrochloride monohydrate

Usha, R. ; Bhadbhade, M. M. ; Venkatesan, K. ; Nagarajan, K. ; David, J. (1982) Structure and conformation of an antidepressant drug, nitroxazepine hydrochloride monohydrate Acta Crystallographica - Section B: Structural Crystallography & Crystal Chemistry, 38 (6). pp. 1854-1857. ISSN 0567-7408

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Official URL: http://scripts.iucr.org/cgi-bin/paper?S05677408820...

Related URL: http://dx.doi.org/10.1107/S0567740882007432

Abstract

C18H20N3O+4. CI-,H2O, Mr=395, orthorhombic, Pn21a, a=7.710 (4), b=11.455 (3), c=21.199 (3) Å, Z=4, V=1872.4 Å 3, Dm=1.38, Dc=1.403 g cm-3, F(000)=832, μ (Cu Kα)=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:Article
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ID Code:66667
Deposited On:27 Oct 2011 04:06
Last Modified:03 Jul 2012 04:01

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