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2-(4,6-Dimethoxy­pyrimidin-2-ylsulfan­yl)-N-phenyl­benzamide

✍ Scribed by Wu, Jun ;Chen, Mei-Feng ;Wang, Li-Hong ;Zhang, Pei-Zhi

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

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✦ Synopsis

The title compound, C 19 H 17 N 3 O 3 S, was synthesized via the reaction of 2-(4,6-dimethoxypyrimidin-2-ylsulfanyl)benzoic acid and aniline in dichloromethane using dicyclohexylcarbodiimide as catalyst. The dihedral angles between the pyrimidine plane and the planes of the two benzene rings are 71.2 (2) and 62.7 (2) ; the dihedral angle between the planes of the two benzene rings is 68.4 (4) . The conformation of the compound is U-shaped.

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3-(4,6-Dimethyl­pyrimidin-2-ylsulfan­yl)
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Single-crystal X-ray study T = 292 K Mean (C-C) = 0.005 A R factor = 0.055 wR factor = 0.181 Data-to-parameter ratio = 15.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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✍ Zhang, Hai-Yue ;Sun, Hua ;Mu, Shi-Cheng ;Wang, Jing-Kang ;Chen, Wei 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 110 KB

The title compound, C 12 H 12 N 4 S 2 , adopts a trans configuration about the central C C double bond. There is a centre of inversion at the mid-point of the C C bond. The dihedral angle between each pyrimidine ring and the butenyl backbone chain is 62.6 (3) .