Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 9 (September 2005)

organic compounds

gg1282 scheme

Acta Cryst. (2005). C61, o542-o544 [doi:10.1107/S0108270105023255]

Two N-substituted 3,5-diphenyl-2-pyrazoline-1-thiocarboxamides

Y. Köysal, S. Isik, G. Sahin and E. Palaska

Abstract: The structures of N-ethyl-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-pyrazoline-1-thiocarboxamide, C₁₉H₂₀FN₃OS, (I), and 3-(4-fluorophenyl)-N-methyl-5-(4-methylphenyl)-2-pyrazoline-1-thiocarboxamide, C₁₈H₁₈FN₃S, (II), have similar geometric parameters. The methoxy/methyl-substituted phenyl groups are almost perpendicular to the pyrazoline (pyraz) ring [interplanar angles of 89.29 (8) and 80.39 (10)° for (I) and (II), respectively], which is coplanar with the fluorophenyl ring [interplanar angles of 5.72 (9) and 10.48 (10)°]. The pyrazoline ring approximates an envelope conformation in both structures, with the two-coordinate N atom involved in an intramolecular N-HN_pyraz interaction. In (I), N-HO and C-HS intermolecular hydrogen bonds are the primary interactions, whereas in (II), there are no intermolecular hydrogen bonds.

Formula: C₁₉H₂₀FN₃OS and C₁₈H₁₈FN₃S


	Structure factor file (CIF format) (174.0 kbytes) Contains datablock I

	Structure factor file (CIF format) (164.8 kbytes) Contains datablock II

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