Crystallography Open Database

Information card for entry 2311466

Preview

Coordinates	2311466.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazide
Formula	C15 H16 N2 O2 S
Calculated formula	C15 H16 N2 O2 S
Title of publication	Crystal structures and Hirshfeld surfaces of differently substituted (<i>E</i>)-<i>N</i>'-benzyl-idene-<i>N</i>-methyl-2-(thio-phen-2-yl)acetohydrazides.
Authors of publication	Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 11
Pages of publication	1636 - 1641
a	7.2148 ± 0.0005 Å
b	8.8307 ± 0.0005 Å
c	24.112 ± 0.0017 Å
α	80.025 ± 0.006°
β	87.601 ± 0.007°
γ	76.097 ± 0.006°
Cell volume	1468.67 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0516
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245904 (current)	2019-12-25	cif/ Adding structures of 2311465, 2311466 via cif-deposit CGI script.	2311466.cif