Crystallography Open Database

Information card for entry 1520463

1520462 << 1520463 >> 1520464

Preview

Coordinates	1520463.cif
External links	PubChem

Structure parameters

Formula	C16 H13 N O2
Calculated formula	C16 H13 N O2
SMILES	C1(=O)/C(=C/c2ccc(cc2)OC)c2ccccc2N1
Title of publication	Methoxy 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	1327
a	4.1302 ± 0.0002 Å
b	12.9513 ± 0.0009 Å
c	13.0829 ± 0.0009 Å
α	62.708 ± 0.003°
β	86.495 ± 0.004°
γ	86.546 ± 0.004°
Cell volume	620.35 ± 0.07 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	0.1415
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	1520463.cif
138978	2015-06-09	cif/ Adding structures of 1520463 via cif-deposit CGI script.	1520463.cif