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Studies in Nonlinear Optical Materials: Structure of 3-Menthyl 2-[Bis(dimethylarnino)methylene]-3-oxobutyrate Hemihydrate

KANAGAPUSHPAM, D and PADMANABHAN, K and VENKATESAN, K (1987) Studies in Nonlinear Optical Materials: Structure of 3-Menthyl 2-[Bis(dimethylarnino)methylene]-3-oxobutyrate Hemihydrate. In: Crystallographica, Section C, 43 (9). pp. 1717-1721.

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Abstract

$C_{19}H_{34}N_20_3.1\2H_2 O$, Mr= 347.5, monoclinic, C2, a = 15.473 (3), b = 6.963 (2), c = 20.708 (4)\AA, \beta= 1 0 8 . 2 ( 2 ) ° , $V=2119(2)\AA ^3, Z=4, D_x= 1.089 Mg mm^{-3}$, \lambda(Cu K\alpha) = 1.5418 \AA, $\mu = 0.523 mm ^{-1}$, F(000) = 760.0, T= 293 K, R = 0.068 for 1967 unique reflections. The C=C bond length is 1-447 (6)\AA, significantly longer than in ethylene, 1.336 (2)\AA. The crystal structure is stabilized by O-H....O hydrogen bonding. Explanation for the observed low second-harmonic-generation efficiency (0.5 times that of urea) is provided.

Item Type: Journal Article
Additional Information: Copyright belongs to International Union of Crystallography
Department/Centre: Division of Chemical Sciences > Organic Chemistry
Date Deposited: 24 Mar 2008
Last Modified: 19 Sep 2010 04:43
URI: http://eprints.iisc.ernet.in/id/eprint/13473

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