Crystallography Open Database

Information card for entry 8102297

Preview

Coordinates	8102297.cif
External links	PubChem

Structure parameters

Chemical name	2, 2`-Bis(salicylideneamino)diphenyl sulfide
Formula	C26 H20 N2 O2 S
Calculated formula	C26 H20 N2 O2 S
Title of publication	Crystal structure of 2,2'-bis(salicylideneamino)diphenyl sulfide, C26H20N2O2S
Authors of publication	Sheng-Rong Guo; Yan-Qin Yuan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	269
a	11.2174 ± 0.0006 Å
b	11.2174 ± 0.0006 Å
c	33.612 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4229.4 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1092
Residual factor for significantly intense reflections	0.106
Weighted residual factors for significantly intense reflections	0.2008
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.39
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
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.	8102297.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102297.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102297.cif
13036	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102297 via cif-deposit CGI script.	8102297.cif