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3,5-Bis(4-bromo-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

ABSTRACT: In the title compound, C(21)H(16)Br(2)N(2), the central pyrazole ring adopts an flattened envelope conformation, with the stereogenic C atom in the flap position. The deviations from planarity for this ring are relatively minor (r.m.s. deviation = 0.045?Å) and the dihedral angles formed with the N- and C(imine)-bound benzene rings are 7.73?(13) and 11.00?(13)°, respectively. By contrast, the benzene ring bound at the chiral C atom is almost orthogonal to the rest of the mol-ecule; the dihedral angle formed between this ring and the pyrazole ring is 79.53?(13)°. In the crystal, the packing is stabilized by C-H?N and C-H?Br inter-actions.

SUBMITTER: Samshuddin S

PROVIDER: S-EPMC2979444 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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3,5-Bis(4-bromo-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Samshuddin S S Samshuddin S S Narayana B B Yathirajan H S HS Safwan A P AP Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100508 Pt 6

In the title compound, C(21)H(16)Br(2)N(2), the central pyrazole ring adopts an flattened envelope conformation, with the stereogenic C atom in the flap position. The deviations from planarity for this ring are relatively minor (r.m.s. deviation = 0.045 Å) and the dihedral angles formed with the N- and C(imine)-bound benzene rings are 7.73 (13) and 11.00 (13)°, respectively. By contrast, the benzene ring bound at the chiral C atom is almost orthogonal to the rest of the mol-ecule; the dihedral a ...[more]

PMID: 21579379

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