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Information card for entry 8106681
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Coordinates | 8106681.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5-nitro-2-(<i>N</i>,<i>N</i>-diethylphenylethenamino)-1,3-thiazole |
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Formula | C15 H17 N3 O2 S |
Calculated formula | C15 H17 N3 O2 S |
Title of publication | Crystal structure of (E)-N,N-diethyl-2-(5-nitrothiazol-2-yl)-1-phenylethen-1-amine, C15H17N3O2S |
Authors of publication | Pairan, Nur Farahin; Kasim, Noor Azilah Mohd; Yamin, Bohari M.; Shah, Noor Aisyah Ahmad |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 5 |
Pages of publication | 795 - 797 |
a | 9.065 ± 0.0015 Å |
b | 16.342 ± 0.003 Å |
c | 10.1187 ± 0.0017 Å |
α | 90° |
β | 91.061 ± 0.005° |
γ | 90° |
Cell volume | 1498.7 ± 0.4 Å3 |
Cell temperature | 308 ± 2 K |
Ambient diffraction temperature | 308 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1671 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.1042 |
Weighted residual factors for all reflections included in the refinement | 0.1323 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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