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(E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl-prop-2-en-1-one.

ABSTRACT: The asymmetric unit of the title compound, C(19)H(17)N(3)O, contains two independent mol-ecules. In one mol-ecule, the essentially planar triazole ring [maximum deviation = 0.003?(2)?Å] forms dihedral angles of 5.57?(12) and 87.51?(12)° with the two phenyl rings, while in the other mol-ecule [maximum deviation in triazole ring = 0.001?(2)?Å] these angles are 1.55?(10) and 82.73?(11)°. The dihedral angles between the two phenyl rings in the two mol-ecules are 87.77?(13) and 81.22?(11)°. In the crystal, the independent mol-ecules are connected via a weak C-H?N hydrogen bond, forming dimers. Further stabilization is provided by weak C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3201398 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

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(E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl-prop-2-en-1-one.

Fun Hoong-Kun HK Hemamalini Madhukar M Shanmugavelan Poovan P Ponnuswamy Alagusundaram A Jagatheesan Rathinavel R

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

The asymmetric unit of the title compound, C(19)H(17)N(3)O, contains two independent mol-ecules. In one mol-ecule, the essentially planar triazole ring [maximum deviation = 0.003 (2) Å] forms dihedral angles of 5.57 (12) and 87.51 (12)° with the two phenyl rings, while in the other mol-ecule [maximum deviation in triazole ring = 0.001 (2) Å] these angles are 1.55 (10) and 82.73 (11)°. The dihedral angles between the two phenyl rings in the two mol-ecules are 87.77 (13) and 81.22 (11)°. In the cr ...[more]

PMID: 22065569

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