Crystallography Open Database

Information card for entry 2207277

2207276 << 2207277 >> 2207278

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Structure parameters

Chemical name	2-[(4-Bromophenylimino)methyl]-6-methoxyphenol
Formula	C14 H12 Br N O2
Calculated formula	C14 H12 Br N O2
SMILES	Brc1ccc(/N=C/c2c(O)c(OC)ccc2)cc1
Title of publication	2-[(4-Bromophenyl)iminomethyl]-6-methoxyphenol
Authors of publication	Zheng, Chun-Sheng; Yang, Nan; Li, Mei; Jing, Zuo-Liang
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	11
Pages of publication	o3613 - o3614
a	4.9175 ± 0.0009 Å
b	12.524 ± 0.002 Å
c	20.551 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1265.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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