Crystallography Open Database

Information card for entry 2238979

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Structure parameters

Chemical name	5-Imino-3,4-diphenyl-1<i>H</i>-pyrrol-2-one
Formula	C16 H12 N2 O
Calculated formula	C16 H12 N2 O
SMILES	O=C1NC(=N)C(=C1c1ccccc1)c1ccccc1
Title of publication	5-Imino-3,4-diphenyl-1<i>H</i>-pyrrol-2-one
Authors of publication	Bulatov, Evgeny; Chulkova, Tatiana; Haukka, Matti
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o162
a	19.687 ± 0.003 Å
b	6.3064 ± 0.001 Å
c	20.611 ± 0.003 Å
α	90°
β	97.85 ± 0.003°
γ	90°
Cell volume	2535 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/n 1
Hall space group symbol	-C 2yac
Residual factor for all reflections	0.0972
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181889 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89.	2238979.cif 2238979.hkl
181308	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/89.	2238979.cif 2238979.hkl
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2238979.cif 2238979.hkl
104811	2014-03-11	cif/ hkl/ Adding structures of 2238979 via cif-deposit CGI script.	2238979.cif 2238979.hkl