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Information card for entry 1545681
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1545681.cif |
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Original IUCr paper | HTML |
Common name | ((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide |
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Chemical name | ((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide |
Formula | C14 H10 Cl2 N2 O2 |
Calculated formula | C14 H10 Cl2 N2 O2 |
SMILES | Clc1cc(/C=N/c2ccc(C(=O)N)cc2)c(O)c(Cl)c1 |
Title of publication | Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals |
Authors of publication | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini |
Journal of publication | IUCrJ |
Year of publication | 2017 |
Journal volume | 4 |
Journal issue | 3 |
a | 8.3558 ± 0.0004 Å |
b | 12.7516 ± 0.0009 Å |
c | 13.0135 ± 0.0009 Å |
α | 78.05 ± 0.006° |
β | 77.167 ± 0.005° |
γ | 88.734 ± 0.004° |
Cell volume | 1322.24 ± 0.15 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0564 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.107 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1545681.html
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Users of the data should acknowledge the original authors of the
structural data.