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3-[5-(2,4-Dichloro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-hy-droxy-2H-chromen-2-one.

ABSTRACT: In the title compound, C(24)H(16)Cl(2)N(2)O(3), the chromene ring system is almost planar, with a maximum deviation of 0.042?(1)?Å. It makes dihedral angles of 3.72?(6), 73.37?(5) and 12.00?(5)° with the dihydro-pyrazole, benzene and phenyl rings, respectively. An intra-molecular O-H?N hydrogen bond forms an S(6) ring motif. In the crystal, mol-ecules are linked via C-H?O inter-actions, forming an infinite chain along the a axis. The crystal packing is further stabilized by a ?-? stacking inter-action [centroid-centroid distance = 3.5471?(7)?Å] and a Cl?Cl short contact [Cl?Cl = 3.214?(1)?Å].

SUBMITTER: Asad M

PROVIDER: S-EPMC3051483 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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3-[5-(2,4-Dichloro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-hy-droxy-2H-chromen-2-one.

Asad Mohammad M Oo Chuan-Wei CW Osman Hasnah H Rosli Mohd Mustaqim MM Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110122 Pt 2

In the title compound, C(24)H(16)Cl(2)N(2)O(3), the chromene ring system is almost planar, with a maximum deviation of 0.042 (1) Å. It makes dihedral angles of 3.72 (6), 73.37 (5) and 12.00 (5)° with the dihydro-pyrazole, benzene and phenyl rings, respectively. An intra-molecular O-H⋯N hydrogen bond forms an S(6) ring motif. In the crystal, mol-ecules are linked via C-H⋯O inter-actions, forming an infinite chain along the a axis. The crystal packing is further stabilized by a π-π stacking inter- ...[more]

PMID: 21523102

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