Crystallography Open Database

Information card for entry 2216557

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Structure parameters

Chemical name	N-[2-(4,6-Dimethoxypyrimidin-2-ylcarbonyl)phenyl]benzamide
Formula	C20 H17 N3 O4
Calculated formula	C20 H17 N3 O4
SMILES	O=C(Nc1ccccc1C(=O)c1nc(OC)cc(OC)n1)c1ccccc1
Title of publication	<i>N</i>-[2-(4,6-Dimethoxypyrimidin-2-ylcarbonyl)phenyl]benzamide
Authors of publication	Yuanxiang Li; Gang Huang
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	12
Pages of publication	o4667 - o4667
a	7.7723 ± 0.001 Å
b	9.9453 ± 0.0013 Å
c	11.8667 ± 0.0016 Å
α	95.774 ± 0.002°
β	91.581 ± 0.002°
γ	98.657 ± 0.002°
Cell volume	901.4 ± 0.2 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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