Crystallography Open Database

Information card for entry 1520461

1520460 << 1520461 >> 1520462

Preview

Coordinates	1520461.cif
External links	PubChem

Structure parameters

Formula	C15 H10 N2 O3
Calculated formula	C15 H10 N2 O3
SMILES	C1(=O)C(=C\c2ccc(cc2)N(=O)=O)\c2ccccc2N1
Title of publication	Nitro oxindole
Authors of publication	Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.
Journal of publication	Crystal Structure Report Archive
Year of publication	2010
Pages of publication	1325
a	9.9484 ± 0.0011 Å
b	7.9134 ± 0.001 Å
c	16.013 ± 0.002 Å
α	90°
β	104.34 ± 0.008°
γ	90°
Cell volume	1221.4 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1026
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520461.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520461.cif
138976	2015-06-09	cif/ Adding structures of 1520461 via cif-deposit CGI script.	1520461.cif