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N-[2-(4,6-Dimethoxypyrimidin-2-ylcarbonyl)phenyl]benzamide

✍ Scribed by Li, Yuanxiang ;Huang, Gang

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
494 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

In the molecule of the title compound, C 20 H 17 N 3 O 4 , intramolecular C-HÁ Á ÁO and N-HÁ Á ÁO hydrogen bonds result in the formation of two nearly planar six-membered rings; these are almost coplanar with the adjacent six-membered ring. In the crystal structure, C-HÁ Á ÁO hydrogen bonds link the molecules.

Related literature

For general background, see: Duggleby et al. (2000). For related literature, see: Li et al. (2006). For bond-length data, see: Allen et al. (1987). Experimental Crystal data C 20 H 17 N 3 O 4 M r = 363.37 Triclinic, P1 a = 7.7723 (10) A b = 9.9453 (13) A c = 11.8667 (16) A = 95.774 (2) = 91.581 (2) = 98.657 (2) V = 901.4 (2) A ˚3 Z = 2 Mo K radiation = 0.10 mm À1 T = 292 (2) K 0.30 Â 0.20 Â 0.10 mm Data collection Bruker SMART 4K CCD areadetector diffractometer Absorption correction: none 5032 measured reflections 3386 independent reflections 2340 reflections with I > 2(I) R int = 0.048 Refinement R[F 2 > 2(F 2 )] = 0.049 wR(F 2 ) = 0.132 S = 0.98 3386 reflections 249 parameters H atoms treated by a mixture of independent and constrained refinement Á max = 0.24 e A ˚À3

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