Crystallography Open Database

Information card for entry 8103169

Preview

Coordinates	8103169.cif

Structure parameters

Chemical name	N'-(thiophen-2-ylmethylene)furan-2-carbohydrazide
Formula	C10 H8 N2 O2 S
Calculated formula	C10 H8 N2 O2 S
SMILES	s1c(C=NNC(=O)c2occc2)ccc1
Title of publication	Crystal structure of N'-(2-thienylmethylene)-furan-2-carbohydrazide, C10H8N2O2S
Authors of publication	Heng-Yu Qian; Quan-Ling Wang; Zhi-Gang Yin; Chun-Xia Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	419
a	11.9394 ± 0.0005 Å
b	7.6572 ± 0.0003 Å
c	22.4747 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2054.69 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0796
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.188
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
176728 (current)	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.	8103169.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103169.cif
29167	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103169 via cif-deposit CGI script.	8103169.cif