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(E)-3-(4-Chloro-phen-yl)-3-[3-(4-chloro-phen-yl)-1H-pyrazol-1-yl]prop-2-enal.

ABSTRACT: In the title compound, C(18)H(12)Cl(2)N(2)O, the pyrazole ring is almost planar [r.m.s. deviation = 0.002?Å] while the two chloro-phenyl rings are twisted out from the plane of the pyrazole ring, making dihedral angles of 5.3?(1) and 65.34?(4)°. In the crystal, centrosymmetric R(2) (2)(24) dimers are formed about crystallographic inversion centres through a pair of C-H?Cl inter-actions. These dimers are further linked through a C-H?O hydrogen bond, forming a C(8) chain extending along the a axis. C-H?? inter-actions are also observed.

SUBMITTER: Susindran V

PROVIDER: S-EPMC2983380 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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(E)-3-(4-Chloro-phen-yl)-3-[3-(4-chloro-phen-yl)-1H-pyrazol-1-yl]prop-2-enal.

Susindran V V Athimoolam S S Bahadur S Asath SA Manikannan R R Muthusubramanian S S

Acta crystallographica. Section E, Structure reports online 20100918 Pt 10

In the title compound, C(18)H(12)Cl(2)N(2)O, the pyrazole ring is almost planar [r.m.s. deviation = 0.002 Å] while the two chloro-phenyl rings are twisted out from the plane of the pyrazole ring, making dihedral angles of 5.3 (1) and 65.34 (4)°. In the crystal, centrosymmetric R(2) (2)(24) dimers are formed about crystallographic inversion centres through a pair of C-H⋯Cl inter-actions. These dimers are further linked through a C-H⋯O hydrogen bond, forming a C(8) chain extending along the a axis ...[more]

PMID: 21587573

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