Crystallography Open Database

Information card for entry 2020652

2020651 << 2020652 >> 2020653

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Structure parameters

Chemical name	(<i>E</i>)-<i>N</i>-Methyl-<i>N</i>'-(4-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide
Formula	C14 H13 N3 O3 S
Calculated formula	C14 H13 N3 O3 S
Title of publication	Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-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.; Lancaster, Shaun T.; Harrison, William T. A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	12
Pages of publication	1677 - 1682
a	6.1893 ± 0.0004 Å
b	12.9177 ± 0.0009 Å
c	17.3828 ± 0.0012 Å
α	93.995 ± 0.007°
β	90.386 ± 0.006°
γ	95.963 ± 0.007°
Cell volume	1378.77 ± 0.16 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	0.0724
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1657
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
189974 (current)	2017-01-06	cif/ Updating files of 2020650, 2020651, 2020652 Original log message: Adding full bibliography for 2020650--2020652.cif.	2020652.cif 2020652.hkl
187742	2016-11-02	cif/ hkl/ Adding structures of 2020650, 2020651, 2020652 via cif-deposit CGI script.	2020652.cif 2020652.hkl