Crystallography Open Database

Information card for entry 8102782

Preview

Coordinates	8102782.cif
External links	PubChem

Structure parameters

Formula	C16 H16 N2 O6 S2
Calculated formula	C16 H16 N2 O6 S2
Title of publication	Crystal structure of N-[(methylsulfonyl)oxy]-N-((E)-2-(methylsulfonyl)oxy]imino-1,2-diphenylethylidene)amine, C16H16N2O6S2
Authors of publication	Ismail Warad; Mohammed Ghazzali; Saud Al-Resayes; Khalid Al-Farhan; Zied Al-Othman
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	3
Pages of publication	611
a	5.392 ± 0.002 Å
b	9.3 ± 0.004 Å
c	9.42 ± 0.004 Å
α	93.933 ± 0.009°
β	90.198 ± 0.011°
γ	106.375 ± 0.009°
Cell volume	452 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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 significantly intense reflections	0.0469
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8102782.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102782.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102782.cif
13521	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102782 via cif-deposit CGI script.	8102782.cif