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Structure of 5-benzoyl-1-[4-(dimethylamino)phenylmethyleneamino]-4-phenyl-1H-pyrimidin-2-one

✍ Scribed by Akkurt, M. ;Hiller, W.


Book ID
114509580
Publisher
International Union of Crystallography
Year
1993
Tongue
English
Weight
314 KB
Volume
49
Category
Article
ISSN
0108-2701

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1-Amino-5-benzoyl-4-phenyl­pyrimidin-2(1
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Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.002 A Ê R factor = 0.037 wR factor = 0.105 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.062 wR factor = 0.197 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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In the title compound, C 27 H 23 N 3 O 5 , the pyrimidine ring is slightly puckered. The mean plane of the pyrimidine ring forms dihedral angles of 28.26 (10), 55.53 (9) and 55.96 (10) with the three benzene rings in the molecule. There are intramolecular and intermolecular C-HÁ Á ÁO interactions.

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The title compound, C 21 H 20 N 2 O 3 S, is a derivative of pyrimidine-2-thione and consists of planar fragments. The molecules are linked by CÐHÁ Á ÁO/CÐHÁ Á ÁS hydrogen bonds and by %±% and CÐHÁ Á Á% interactions.

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Molecules of the title compound, C 24 H 26 N 4 , are linked by C-HÁ Á ÁN hydrogen bonds, forming a C(5) chain along the [010] direction. Neighboring chains are connected by four C-HÁ Á Á interactions, resulting in the formation of a threedimensional network.