Crystallography Open Database

Information card for entry 2236470

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Structure parameters

Chemical name	5-(Diphenylmethylidene)pyrrolidin-2-one
Formula	C17 H15 N O
Calculated formula	C17 H15 N O
SMILES	O=C1NC(=C(c2ccccc2)\c2ccccc2)\CC1
Title of publication	5-(Diphenylmethylidene)pyrrolidin-2-one
Authors of publication	Hsu, Tzu-Fang; Chen, Yan-Ru; Huang, Bor-Hunn; Chen, Ming-Jen
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	11
Pages of publication	o3224
a	7.135 ± 0.002 Å
b	7.885 ± 0.002 Å
c	12.184 ± 0.004 Å
α	89.76 ± 0.03°
β	75.09 ± 0.03°
γ	85.65 ± 0.02°
Cell volume	660.4 ± 0.3 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	0.1082
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1918
Weighted residual factors for all reflections included in the refinement	0.2253
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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