Polarized Ethylenes: Structures of [Dimethylamino(methylthio)methylene]malononitrile(I), $C_7H_9N_3S$, and [Bis(dimethylamino)methylene]malononitrile (II), $C_8H_{12}N_4$

Adhikesavalu, D and Venkatesan, K (1983) Polarized Ethylenes: Structures of [Dimethylamino(methylthio)methylene]malononitrile(I), $C_7H_9N_3S$, and [Bis(dimethylamino)methylene]malononitrile (II), $C_8H_{12}N_4$. In: Acta Crystallographica, Section C: Crystal Structure Communications, C39 (5). pp. 589-592.

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Abstract

(I): $M_r$= 167, orthorhombic, $Pna2_1$ , Z = 4, a=7.899(3), b=8.670(2), c=12.956(6) \AA, V= 887.2 $\AA^3$, $D_m$= 1.25, $D_ x$= 1.250 $Mg m^{ -3}$, $\mu$(Mo $K_\alpha$, $\lambda$ = 0-7107 \AA) = 0.299 $mm^{ -1}$, F(000) = 352, T= 293 K. (II): $M_r$= 164, orthorhombic, Pcab, Z= 8, a = 7.876 (2), b = 14.430 (4), c= 16.312 (5) \AA, V= 1853.9 ,$\AA^3$, $D_m$ = 1.18,$D_ x$ = 1.175 Mg $m^{-3}$, $\mu$(Mo $K_\alpha$, $\lambda$ = 0.7107 \AA) = 0.083 $mm^{-1}$, F(000) = 704, T= 293 K. Both structures were solved by direct methods and refined to R = 4.1% (542 significant reflections) for (I) and R = 4.9% (709 significant reflections) for (II). The C=C bond lengths are 1.397 (8)\AA in (I) and 1.407 (4)\AA in (II). The molecules are twisted about the C=C bond by $21.7^o$ in (I) and $29.3^o$ in (II).

Item Type:	Journal Article
Publication:	Acta Crystallographica, Section C: Crystal Structure Communications
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:	16 Jun 2008
Last Modified:	29 Feb 2012 06:49
URI:	http://eprints.iisc.ac.in/id/eprint/14413

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