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Information card for entry 2242578
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Coordinates | 2242578.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-3-[(2,3-Dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide |
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Formula | C16 H14 Br Cl2 N3 S |
Calculated formula | C16 H14 Br Cl2 N3 S |
Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(2,3-dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide |
Authors of publication | Akkurt, Mehmet; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Khalilov, Ali N.; Huseynova, Afat T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 8 |
Pages of publication | 1168 - 1172 |
a | 11.2586 ± 0.0008 Å |
b | 6.8886 ± 0.0005 Å |
c | 23.0145 ± 0.0016 Å |
α | 90° |
β | 93.678 ± 0.002° |
γ | 90° |
Cell volume | 1781.2 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1007 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1022 |
Weighted residual factors for all reflections included in the refinement | 0.1231 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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