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1-(p-Tolyl­sulfon­yl)propan-2-one

✍ Scribed by Billing, David G. ;Koning, Charles B. de ;Michael, Joseph P. ;Yillah, Ibrahim

Publisher
International Union of Crystallography
Year
2006
Tongue
English
Weight
179 KB
Volume
62
Category
Article
ISSN
1600-5368

No coin nor oath required. For personal study only.

✦ Synopsis

The asymmetric unit of the title compound, C 10 H 12 O 3 S, contains two independent molecules having different conformations. In one conformation, the aromatic ring and the acetyl substituent are gauche to each other, while in the other they are anti.

📜 SIMILAR VOLUMES

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In the molecule of the title compound, C 16 H 15 N 3 O, the benzotriazole system is planar. In the crystal structure, intermolecular C-HÁ Á ÁO hydrogen bonds link the molecules into chains. The packing is further stabilized by C-HÁ Á Á interactions.

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In the title compound, C~16~H~15~N~3~O, the whole skeleton of non-H atoms is approximately planar; the dihedral angle is 1.45 (2)° between the benzene and triazole rings in the benzotriazole unit and 6.46 (1)° between the other terminal benzene ring and the benzotriazole unit. The crystal structure

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.058 wR factor = 0.165 Data-to-parameter ratio = 16.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.