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Information card for entry 7057754
Preview
Coordinates | 7057754.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H11 N3 O2 S |
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Calculated formula | C10 H11 N3 O2 S |
Title of publication | Facile synthesis of novel 3,4,5-trisubstituted-1,2,4-triazin-6(1H)-ones via a sequential Ugi‒Smiles type/nucleophilic substitution/cyclization reaction |
Authors of publication | Ramezanpour, Sorour; Rezaei, Mohammad Nasim; Vaezghaemi, Aref; Rominger, Frank |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 21 |
Pages of publication | 17533 |
a | 19.8951 ± 0.0011 Å |
b | 6.7525 ± 0.0004 Å |
c | 8.0436 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1080.59 ± 0.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0532 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.1019 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7057754.html
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