Crystallography Open Database

Information card for entry 2214333

Preview

Structure parameters

Chemical name	2-Naphthylmethyl N-[1-(4-pyridyl)ethylidene]hydrazinecarbodithioate
Formula	C19 H17 N3 S2
Calculated formula	C19 H17 N3 S2
SMILES	c12c(CSC(=S)N\N=C(\c3ccncc3)C)cccc1cccc2
Title of publication	2-Naphthylmethyl <i>N</i>-[1-(4-pyridyl)ethylidene]hydrazinecarbodithioate
Authors of publication	How, Fiona N.-F.; Watkin, David J.; Crouse, Karen A.; M. Ibrahim M. Tahir
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	o3135 - o3136
a	16.0781 ± 0.0007 Å
b	9.8406 ± 0.0004 Å
c	22.2201 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3515.6 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1306
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for all reflections	0.211
Weighted residual factors for significantly intense reflections	0.1819
Weighted residual factors for all reflections included in the refinement	0.211
Goodness-of-fit parameter for all reflections included in the refinement	0.9178
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.