Polarized ethylenes: structures of [dimethylamino(methylthio)methylene]malononitrile (I), C7H9N3S, and [bis(dimethylamino)methylene]malononitrile (II), C8H12N4

Adhikesavalu, D. ; Venkatesan, K. (1983) Polarized ethylenes: structures of [dimethylamino(methylthio)methylene]malononitrile (I), C7H9N3S, and [bis(dimethylamino)methylene]malononitrile (II), C8H12N4 Acta Crystallographica Section C, 39 (5). pp. 589-592. ISSN 0108-2701

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Official URL: http://scripts.iucr.org/cgi-bin/paper?S01082701830...

Related URL: http://dx.doi.org/10.1107/S0108270183005569


(I): Mr=167, orthorhombic, Pna21, Z=4, a=7.899 (3), b=8.670 (2), c=12.956 (6) Å, V= 887.2 Å 3, Dm=1.25, Dx=1.250 Mg m-3, μ(Mo Kα, λ=0.7107 Å)=0.299 mm-1, F(000) 352, T=293 K. (II): Mr= 64, orthorhombic, Pcab, Z=8, a =7.876 (2), b=4.430 (4), c=16.312 (5) Å, V=1853.9 , Å3, Dm=1.18, Dx=1.175 Mg m-3, μ (Mo Kα, λ=0.7107 Å)=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) Å in (I) and 1.407 (4) Å in (II). The molecules are twisted about the C=C bond by 21.7° in (I) and 29.3° in (II).

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