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Studies on nonlinear optical materials: structure of diphenylmethyl (Z)-1-(1-methylthio-2-nitrovinyl)tetrahydropyrrole-2-carboxylate

Begum, Noor Shahina and Venkatesan, K (1991) Studies on nonlinear optical materials: structure of diphenylmethyl (Z)-1-(1-methylthio-2-nitrovinyl)tetrahydropyrrole-2-carboxylate. In: Acta Crystallographica Section C, 48 . pp. 902-905.

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Official URL: http://scripts.iucr.org/cgi-bin/paper?li0088

Abstract

C21H22N2045, M r = 398.5, orthorhombic, P212~21, a = 9.799 (1), b = 11.853 (1), c = 17.316(2)/~, V=2011.4A 3, Z=4, Dm=l.320, Dx=1.314Mgm -3, CuKa, A=1.5418A, Iz= 1.63 ram-1, F(000) = 840.0, T = 293 K, R = 0.055 for 1735 significant reflections. In the 1-methylthio-2- nitrovinyl moiety the C--C bond, 1.368 (7)A, is significantly longer than in ethylene, 1.336 (2)/~. The second harmonic generation (SHG) efficiency of this compound is only 0.25 of the urea standard. The correlation between the molecular packing and SHG is discussed.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Chemical Sciences > Organic Chemistry
Date Deposited: 30 Nov 2010 13:56
Last Modified: 01 Dec 2010 06:12
URI: http://eprints.iisc.ernet.in/id/eprint/34156

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