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5-(4-Bromo­phenyl)-3-phenyl-1-(3-phenyl­propyl)-1H-pyrazole

✍ Scribed by Low, John N. ;Cobo, Justo ;Arroyabe, Frank ;Torres, Harlen ;Abonia, Rodrigo ;Glidewell, Christopher

Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
236 KB
Volume
60
Category
Article
ISSN
1600-5368

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✦ Synopsis

Molecules of the title compound, C 24 H 21 BrN 2 , are linked into chains by a single CÐHÁ Á Á%(arene) hydrogen bond, but CÐ HÁ Á ÁN hydrogen bonds and aromatic %±% stacking interactions are absent.

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Single-crystal X-ray study T = 291 K Mean '(C±C) = 0.004 A Ê R factor = 0.053 wR factor = 0.138 Data-to-parameter ratio = 14.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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The structure of the title compound, C 25 H 23 N 3 O 2 , features a central pyrazole ring; an amine NH unit interacts with the ring CO unit through an intramolecular N-HÁ Á ÁO hydrogen bond [NÁ Á ÁO = 2.700 (2) A ˚]

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In the title compound, C 24 H 18 F 3 N 3 O, the molecule exists in the enamine-keto tautomeric form. The pyrazolone ring makes dihedral angles of 31.8 (2), 45.4 (2) and 71.2 (2) with the 1-phenyl, aniline and methylene-bound phenyl rings, respectively. An intramolecular N-HÁ Á ÁO hydrogen bond helps