J. Lokaj, P. Sivý, D. Ilavský
Mar 15, 1989
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Influential Citations
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Journal
Acta Crystallographica Section C-crystal Structure Communications
Abstract
Methyl 2-cyano-3-(5-dimethylamino-2-furyl)- acrylate, C~lH~2N203, M r = 220.2, monoclinic, P2Jc, a = 10.012 (2), b = 13.820 (3), c = 8.293 (1) A, fl= 106.39(1) °, V= ll00.8A 3, Z=4, Dm= 1.31, D x = 1.33 Mg m -3, 2(Cu Ket) = 1.54178 A, /z = 0.82 mm -~, F(000) = 464, T= 293 K. Final R = 0.065 for 802 observed reflections. It is proved that in the reaction of 5-dimethylamino-2-furaldehyde with the methyl ester of cyanoacetic acid only the E isomer is produced. The molecules are nearly planar with dihedral angles between furan, methyl ester and dimethylamine planes ranging from 11.2(2) to 23.6(5) ° . They are aligned to form stacks perpen- dicular to the c axis. Experimental. Orange prismatic crystal with dimen- sions 0.43 x 0-09 x 0.08mm; D m by flotation in n-octane/CCl4; monoclinic space group P2Jc (No. 14); lattice parameters and Bravais translation lattice found by program UB (Sivb, Siva, & Korefi, 1987). Inten- sities collected with Syntex P2~ diffractometer, graphite monochromator, 0/20 scan, 20ma x = 110°; time per reflection ca 60 s, two standard reflections, variation