Crystallography Open Database

Information card for entry 2235343

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Structure parameters

Chemical name	4-Chloroanilinium bromide
Formula	C6 H7 Br Cl N
Calculated formula	C6 H7 Br Cl N
SMILES	Clc1ccc([NH3+])cc1.[Br-]
Title of publication	4-Chloroanilinium bromide
Authors of publication	Zhao, Min-Min
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	7
Pages of publication	o2022
a	4.3989 ± 0.0002 Å
b	6.2553 ± 0.0002 Å
c	13.8907 ± 0.0008 Å
α	91.4 ± 0.0008°
β	93.58 ± 0.001°
γ	101.967 ± 0.001°
Cell volume	372.91 ± 0.03 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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