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3-(4-Chloro-phen-yl)-5-(4-eth-oxy-phen-yl)-4,5-dihydro-1H-pyrazole-1-carbothio-amide ethanol monosolvate.

ABSTRACT: The asymmetric unit of the title compound, C18H18ClN3OS·C2H5OH, comprises a pyrazoline derivative and an ethanol solvent mol-ecule. In the mol-ecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the eth-oxy-phenyl substituent as the flap. The dihedral angle between the benzene rings is 74.22?(7)°. The eth-oxy group is coplanar with the attached benzene ring [C-O-C-Cmeth-yl = 175.50?(11)° and r.m.s. deviation = 0.0459?(1)?Å for the nine non-H atoms]. In the crystal, the pyrazoline mol-ecules are linked by N-H?Oeth-oxy hydrogen bonds into chains along the c axis and are further linked with the solvent ethanol mol-ecules by N-H?Oethanol and Oethanol-H?S hydrogen bonds. C-H?? inter-actions are also present.

SUBMITTER: Quah CK

PROVIDER: S-EPMC3629506 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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3-(4-Chloro-phen-yl)-5-(4-eth-oxy-phen-yl)-4,5-dihydro-1H-pyrazole-1-carbothio-amide ethanol monosolvate.

Quah Ching Kheng CK Fun Hoong-Kun HK Suwunwong Thitipone T Boonnak Nawong N Chantrapromma Suchada S

Acta crystallographica. Section E, Structure reports online 20130302 Pt 4

The asymmetric unit of the title compound, C18H18ClN3OS·C2H5OH, comprises a pyrazoline derivative and an ethanol solvent mol-ecule. In the mol-ecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the eth-oxy-phenyl substituent as the flap. The dihedral angle between the benzene rings is 74.22 (7)°. The eth-oxy group is coplanar with the attached benzene ring [C-O-C-Cmeth-yl = 175.50 (11)° and r.m.s. deviation = 0.0459 (1) Å for the nine no ...[more]

PMID: 23634024

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