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Information card for entry 7059531
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Coordinates | 7059531.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (3Z)-3-({[(ethylsulfanyl)methanethioyl]amino}imino)-2,3-dihydro-1<i>H</i>-indole-2-one |
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Formula | C11 H11 N3 O S2 |
Calculated formula | C11 H11 N3 O S2 |
Title of publication | Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes |
Authors of publication | Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 21 |
Pages of publication | 8878 - 8889 |
a | 4.5172 ± 0.0002 Å |
b | 13.5286 ± 0.0005 Å |
c | 19.8833 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1215.1 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0473 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1162 |
Weighted residual factors for all reflections included in the refinement | 0.1173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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