Crystallography Open Database

Information card for entry 2211237

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Structure parameters

Chemical name	2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile
Formula	C15 H19 N O2
Calculated formula	C15 H19 N O2
SMILES	OC1(CCCCC1)C(C#N)c1ccc(OC)cc1
Title of publication	2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile
Authors of publication	Zhang, Rui; Gao, Jin-Sheng; Hou, Guang-Feng; Yu, Ying-Hui
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	11
Pages of publication	o5241 - o5243
a	23.551 ± 0.005 Å
b	5.5477 ± 0.0011 Å
c	23.19 ± 0.005 Å
α	90°
β	115.22 ± 0.03°
γ	90°
Cell volume	2741.1 ± 1.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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