Crystallography Open Database

Information card for entry 2104100

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Structure parameters

Common name	4-Chloro-4'-hydroxybenzophenone
Formula	C13 H9 Cl O2
Calculated formula	C13 H9 Cl O2
SMILES	Clc1ccc(cc1)C(=O)c1ccc(O)cc1
Title of publication	Conformations of substituted benzophenones
Authors of publication	Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
Journal of publication	Acta Crystallographica Section B
Year of publication	2008
Journal volume	64
Journal issue	2
Pages of publication	206 - 216
a	23.3058 ± 0.0011 Å
b	5.577 ± 0.0002 Å
c	8.2847 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1076.82 ± 0.08 Å³
Cell temperature	120 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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