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1-[3-(2,4-Dichloro-5-fluoro-phen-yl)-5-(3-methyl-2-thien-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

ABSTRACT: In the title mol-ecule, C(16)H(13)Cl(2)FN(2)OS, the dihedral angle between the thio-phene and benzene rings is 80.34?(12)°. The pyrazoline ring is in an envelope conformation, and the plane through the four coplanar atoms makes dihedral angles of 85.13?(9) and 6.89?(10)° with the thio-phene and benzene rings, respectively. The C and O atoms of the acetyl group are nearly coplanar with the attached pyrazoline ring. In the crystal structure, inversion dimers arise from pairs of inter-molecular C-H?O hydrogen bonds. A short inter-molecular Cl?S contact of 3.4250?(13)?Å is also found.

SUBMITTER: Anuradha N

PROVIDER: S-EPMC2959565 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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1-[3-(2,4-Dichloro-5-fluoro-phen-yl)-5-(3-methyl-2-thien-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Anuradha N N Thiruvalluvar A A Mahalinga M M Butcher R J RJ

Acta crystallographica. Section E, Structure reports online 20081022 Pt 11

In the title mol-ecule, C(16)H(13)Cl(2)FN(2)OS, the dihedral angle between the thio-phene and benzene rings is 80.34 (12)°. The pyrazoline ring is in an envelope conformation, and the plane through the four coplanar atoms makes dihedral angles of 85.13 (9) and 6.89 (10)° with the thio-phene and benzene rings, respectively. The C and O atoms of the acetyl group are nearly coplanar with the attached pyrazoline ring. In the crystal structure, inversion dimers arise from pairs of inter-molecular C-H ...[more]

PMID: 21581020

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