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N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl-sulfan-yl)phen-yl]acetamide.

ABSTRACT: In the title compound, C(20)H(21)N(3)O(2)S, the 2,3-dihydro-1H-pyrazole ring is nearly planar (r.m.s. deviation = 0.023?Å) and forms dihedral angles of 16.96?(6) and 38.93?(6)° with the benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 55.54?(6)°. The mol-ecular conformation is consolidated by an intra-molecular C-H?O hydrogen bond, which forms an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H?O(p) (p = pyrazole) hydrogen bonds generate R(2) (2)(10) loops. The dimers are linked by C-H?O hydrogen bonds into sheets lying parallel to (100).

SUBMITTER: Fun HK

PROVIDER: S-EPMC3435699 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl-sulfan-yl)phen-yl]acetamide.

Fun Hoong-Kun HK Quah Ching Kheng CK Nayak Prakash S PS Narayana B B Sarojini B K BK

Acta crystallographica. Section E, Structure reports online 20120811 Pt 9

In the title compound, C(20)H(21)N(3)O(2)S, the 2,3-dihydro-1H-pyrazole ring is nearly planar (r.m.s. deviation = 0.023 Å) and forms dihedral angles of 16.96 (6) and 38.93 (6)° with the benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 55.54 (6)°. The mol-ecular conformation is consolidated by an intra-molecular C-H⋯O hydrogen bond, which forms an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯O(p) (p = pyrazole) hydrogen bonds ...[more]

PMID: 22969570

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