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Information card for entry 2019393
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Coordinates | 2019393.cif |
---|---|
Structure factors | 2019393.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-1-[(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-2-phenylhydrazine |
---|---|
Formula | C17 H15 Cl N4 |
Calculated formula | C17 H15 Cl N4 |
SMILES | Cc1nn(c(c1/C=N/Nc1ccccc1)Cl)c1ccccc1 |
Title of publication | (<i>E</i>)-1-[(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-2-phenylhydrazine: sheets built from π-stacked hydrogen-bonded chains |
Authors of publication | Trilleras, Jorge; Utria, Michael; Cobo, Justo; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 2 |
Pages of publication | 216 - 219 |
a | 11.773 ± 0.002 Å |
b | 9.9525 ± 0.0018 Å |
c | 13.76 ± 0.003 Å |
α | 90° |
β | 114.519 ± 0.01° |
γ | 90° |
Cell volume | 1466.9 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0902 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1185 |
Weighted residual factors for all reflections included in the refinement | 0.1385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181863 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/93. |
2019393.cif 2019393.hkl |
180861 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/93. |
2019393.cif 2019393.hkl |
176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019393.cif 2019393.hkl |
104752 | 2014-03-11 | cif/ hkl/ Adding structures of 2019393 via cif-deposit CGI script. |
2019393.cif 2019393.hkl |
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Users of the data should acknowledge the original authors of the
structural data.