Crystallography Open Database

Information card for entry 1520460

1520459 << 1520460 >> 1520461

Preview

Coordinates	1520460.cif
External links	PubChem

Structure parameters

Formula	C16 H13 N O
Calculated formula	C16 H13 N O
SMILES	C1(=O)/C(=C/c2ccc(cc2)C)c2ccccc2N1
Title of publication	Methyl 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	1324
a	8.1168 ± 0.0004 Å
b	9.2556 ± 0.0004 Å
c	9.3927 ± 0.0003 Å
α	62.29 ± 0.002°
β	80.933 ± 0.003°
γ	72.18 ± 0.002°
Cell volume	594.64 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0924
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	1520460.cif
138975	2015-06-09	cif/ Adding structures of 1520460 via cif-deposit CGI script.	1520460.cif