Crystallography Open Database

Information card for entry 8106431

Preview

Coordinates	8106431.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-methyl-3-[((naphthalen-2-ylsulfonyl)oxy)imino]indolin- 2-one
Formula	C19 H14 N2 O4 S
Calculated formula	C19 H14 N2 O4 S
SMILES	S(=O)(=O)(O/N=C1\c2ccccc2N(C)C1=O)c1cc2ccccc2cc1
Title of publication	Crystal structure of 1-methyl-3-[((naphthalen-2-ylsulfonyl)oxy)imino]indolin-2-one, C19H14N2O4S
Authors of publication	El-Faham, Ayman; Khattab, Sherine N.; Ghabbour, Hazem A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	1
Pages of publication	55 - 57
a	5.9059 ± 0.0002 Å
b	10.1508 ± 0.0005 Å
c	13.6286 ± 0.0006 Å
α	88.499 ± 0.002°
β	88.744 ± 0.002°
γ	84.569 ± 0.002°
Cell volume	812.93 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
280228 (current)	2023-01-06	cif/ Adding structures of 8106431 via cif-deposit CGI script.	8106431.cif