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1-(4-Hydroxy­phenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one

✍ Scribed by Liu, Fa-Qian ;Li, Wei-Hua ;Song, Hai-Bin ;Lu, Lu-De ;Yang, Xu-Jie ;Wang, Xin

Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
175 KB
Volume
61
Category
Article
ISSN
1600-5368

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.040 wR factor = 0.112 Data-to-parameter ratio = 10.9 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 (I), showing 50% probability displacement ellipsoids and the atom-numbering scheme.

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In the title compound, C 12 H 13 N 3 O 2 , the methoxyphenylpropanone unit is approximately planar. The dihedral angle between the benzene ring and the triazole ring is 80.60 (1) . A C-HÁ Á Á interaction stabilizes the crystal structure.

1-(4-Bromo­phen­yl)-3-(1H-1,2,4-triazol-
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In the asymmetric unit of the title compound, C~11~H~10~BrN~3~O, there are two independent molecules. The dihedral angles between the benzene and triazole rings in the two independent molecules are 84.1 (2) and 65.1 (2)°.