Crystallography Open Database

Information card for entry 2237847

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Structure parameters

Chemical name	2-Benzoyl-4-chlorophenyl benzoate
Formula	C20 H13 Cl O3
Calculated formula	C20 H13 Cl O3
SMILES	Clc1ccc(c(c1)C(=O)c1ccccc1)OC(=O)c1ccccc1
Title of publication	2-Benzoyl-4-chlorophenyl benzoate
Authors of publication	Begum A, Bushra; Al-Ghorbani, Mohammed; Sharma, Suresh; Gupta, Vivek K.; Khanum, Shaukath Ara
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	6
Pages of publication	o999 - o1000
a	9.1934 ± 0.0002 Å
b	9.8641 ± 0.0003 Å
c	10.0778 ± 0.0003 Å
α	94.033 ± 0.002°
β	114.207 ± 0.002°
γ	102.512 ± 0.002°
Cell volume	800.64 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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