Publication:
Synthesis and Single Crystal X-Ray Structure of 3,5-Diphenyl

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Abstract

Abstract: The molecule of the title pyrazole derivative, 3,5-diphenyl-1-(phenylacetyl)-4,5-dihydro-1H-pyrazol, C<inf>23</inf>H<inf>20</inf>N<inf>2</inf>O, is twisted. The compound crystallizes in the monoclinic sp. gr. I2/a with a = 15.3502(13) Å, b = 12.7576(8) Å, c = 19.625(2) Å, β = 106.639(7)°, and Z = 8. In the compound, the phenyl rings form dihedral angles of 12.01(13)°, 80.36(8)°, and 86.95(9)° with the mean plane of the pyrazole ring (r.m.s. deviation = 0.030 Å). The central pyrazole ring, which approximates an envelope conformation, is almost coplanar with one of the phenyl rings. The crystal packing is stabilized by weak intermolecular C–H···O hydrogen bonds. © 2018, Pleiades Publishing, Inc.

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Source

Crystallography Reports

Volume

63

Issue

6

Start Page

937

End Page

941

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