Crystallography Open Database

Information card for entry 2202168

2202167 << 2202168 >> 2202169

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2202168.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	N-para-bromophenyl-N'-2-chlorobenzoylurea
Formula	C14 H10 Br Cl N2 O2
Calculated formula	C14 H10 Br Cl N2 O2
SMILES	Brc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1
Title of publication	<i>N</i>-<i>p</i>-Bromophenyl-<i>N</i>'-(2-chlorobenzoyl)urea
Authors of publication	Bohari M. Yamin; A. Sahali Mardi
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	4
Pages of publication	o399 - o400
a	7.6761 ± 0.0007 Å
b	17.752 ± 0.0017 Å
c	10.3654 ± 0.001 Å
α	90°
β	105.479 ± 0.002°
γ	90°
Cell volume	1361.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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