Crystallography Open Database

Information card for entry 2012564

2012563 << 2012564 >> 2012565

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Structure parameters

Chemical name	1,3-dimethyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile
Formula	C20 H18 N2 O
Calculated formula	C20 H18 N2 O1.013
SMILES	O=C1N(C(=C[C@H]([C@]1(C#N)C)c1ccccc1)c1ccccc1)C.O=C1N(C(=C[C@@H]([C@@]1(C#N)C)c1ccccc1)c1ccccc1)C
Title of publication	1,3-Dimethyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile
Authors of publication	Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	3
Pages of publication	o191 - o192
a	13.738 ± 0.003 Å
b	7.4751 ± 0.0016 Å
c	17.1566 ± 0.0018 Å
α	90°
β	110.117 ± 0.013°
γ	90°
Cell volume	1654.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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