Crystallography Open Database

Information card for entry 8104827

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Coordinates	8104827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Br2 N2 O2
Calculated formula	C14 H7 Br2 N2 O2
Title of publication	Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2
Authors of publication	Xu, Xindi; Tian, Hui; Wang, Xia; Wang, Man; Wu, Qiong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	347 - 348
a	4.8308 ± 0.0002 Å
b	6.1438 ± 0.0002 Å
c	23.0836 ± 0.0009 Å
α	90°
β	91.0784 ± 0.0014°
γ	90°
Cell volume	684.99 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0528
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.206
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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