Crystallography Open Database

Information card for entry 7160131

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Coordinates	7160131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Br N O2
Calculated formula	C14 H12 Br N O2
Title of publication	Regioselective synthesis of 2-aminophenols from <i>N</i>-arylhydroxylamines.
Authors of publication	Gao, Zhiwei; Hou, Zhiguo; Gao, Hongyin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	38
Pages of publication	7801 - 7805
a	9.9951 ± 0.001 Å
b	17.872 ± 0.002 Å
c	8.3591 ± 0.0009 Å
α	90°
β	122.348 ± 0.005°
γ	90°
Cell volume	1261.5 ± 0.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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