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1,2-Diethyl-3-hydroxy-6-phenyl­thio­pyridin-4(1H)-one

✍ Scribed by Xie, Wen-Lin ;Chen, Cai-Hong ;Ma, Lin ;Gu, Lian-Quan

Publisher
International Union of Crystallography
Year
2002
Tongue
English
Weight
129 KB
Volume
58
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, C 15 H 17 NO 2 S, synthesized as an inhibitor for 5-lipoxygenase, comprises the neutral 1,2-diethyl-3hydroxy-6-phenylthiopyridin-4(1H)-one molecule. The H atom of the hydroxy group and the carbonyl O atom form intermolecular hydrogen bonds with another molecule in a head-to-head fashion. The resulting dimers pack along the b axis and form hydrophobic channels.

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Single-crystal X-ray study T = 295 K Mean (C-C) = 0.002 A R factor = 0.040 wR factor = 0.111 Data-to-parameter ratio = 15.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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In the title Schiff base, C 19 H 19 N 3 O 2 , the dihydropyrazole ring is essentially planar, with an r.m.s. deviation of 0.0289 A ˚for the fitted atoms. This ring makes dihedral angles of 41.8 (2) and 51.1 (3) with the phenyl and benzene rings, respectively. In the crystal structure, there is one i