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Information card for entry 4037006
Preview
Coordinates | 4037006.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-methyl-2-(1-phenylvinyl)-1-tosyl-2,3-dihydroquinazolin-4(1H)-one |
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Formula | C24 H22 N2 O3 S |
Calculated formula | C24 H22 N2 O3 S |
SMILES | S(=O)(=O)(N1C(N(C(=O)c2ccccc12)C)C(=C)c1ccccc1)c1ccc(cc1)C |
Title of publication | A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides. |
Authors of publication | Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 15 |
Pages of publication | 6596 - 6608 |
a | 8.0522 ± 0.0011 Å |
b | 11.3712 ± 0.0017 Å |
c | 12.2775 ± 0.0019 Å |
α | 82.627 ± 0.01° |
β | 81.964 ± 0.01° |
γ | 77.726 ± 0.009° |
Cell volume | 1082 ± 0.3 Å3 |
Cell temperature | 293.15 K |
Ambient diffraction temperature | 293.15 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 | 0.1128 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1313 |
Weighted residual factors for all reflections included in the refinement | 0.1597 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4037006.html
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Users of the data should acknowledge the original authors of the
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