Crystallography Open Database

Information card for entry 1100688

Preview

Coordinates	1100688.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,3-bis(4-methylphenyl)tetrazolidine-5-thione
Formula	C15 H16 N4 S
Calculated formula	C15 H16 N4 S
Title of publication	A Novel Synthesis and Crystal Structure of 2,3-Substituted-1,4-2H-tetrazolthione
Authors of publication	Zhao, Pu Su; Jian, Fang Fang; Xiao, Hai Lian; Hou, Yu Xia
Journal of publication	Bulletin of the Korean Chemical Society
Year of publication	2004
Journal volume	25
Journal issue	12
Pages of publication	1935 - 1936
a	18.381 ± 0.004 Å
b	6.1799 ± 0.0012 Å
c	6.1865 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	702.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.1207
Residual factor for significantly intense reflections	0.1089
Weighted residual factors for significantly intense reflections	0.3064
Weighted residual factors for all reflections included in the refinement	0.3127
Goodness-of-fit parameter for all reflections included in the refinement	1.219
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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