Crystallography Open Database

Information card for entry 4022992

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Coordinates	4022992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 N2 O2
Calculated formula	C19 H16 N2 O2
SMILES	OC(c1ncccc1)C(=O)N(c1ccccc1)c1ccccc1
Title of publication	Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides
Authors of publication	Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	9195 - 9202
a	16.2324 ± 0.0011 Å
b	5.6544 ± 0.0004 Å
c	18.3459 ± 0.0012 Å
α	90°
β	115.587 ± 0.003°
γ	90°
Cell volume	1518.73 ± 0.18 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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