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Information card for entry 2240725
Preview
Coordinates | 2240725.cif |
---|---|
Structure factors | 2240725.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-<i>N</i>-Phenyl-<i>N</i>'-[1-(thiophen-2-yl)ethylidene]formohydrazide. |
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Formula | C13 H12 N2 O S |
Calculated formula | C13 H12 N2 O S |
SMILES | s1cccc1C(=N\N(C=O)c1ccccc1)\C |
Title of publication | Crystal structure of (<i>E</i>)-<i>N</i>-phenyl-<i>N</i>'-[1-(thiophen-2-yl)ethylidene]formohydrazide |
Authors of publication | Dileep, C. S.; Raghavendra, K. R.; Lokanath, N. K.; Ajay Kumar, K.; Sridhar, M. A. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 9 |
Pages of publication | o928 - o929 |
a | 5.496 ± 0.0007 Å |
b | 11.0177 ± 0.0013 Å |
c | 20.249 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1226.1 ± 0.2 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240725.cif 2240725.hkl |
136885 | 2015-05-18 | cif/ hkl/ Adding structures of 2240725 via cif-deposit CGI script. |
2240725.cif 2240725.hkl |
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Users of the data should acknowledge the original authors of the
structural data.