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Information card for entry 2020983
Preview
Coordinates | 2020983.cif |
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Original paper (by DOI) | HTML |
Chemical name | <i>N</i>-(4-Methoxyphenyl)-2-phthalimidoethanesulfonamide |
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Formula | C17 H16 N2 O5 S |
Calculated formula | C17 H16 N2 O5 S |
SMILES | S(=O)(=O)(Nc1ccc(OC)cc1)CCN1C(=O)c2c(C1=O)cccc2 |
Title of publication | Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives |
Authors of publication | Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 1 |
Pages of publication | 31 - 36 |
a | 10.9408 ± 0.0009 Å |
b | 7.2555 ± 0.0007 Å |
c | 21.1923 ± 0.0018 Å |
α | 90° |
β | 99.838 ± 0.008° |
γ | 90° |
Cell volume | 1657.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0586 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0851 |
Weighted residual factors for all reflections included in the refinement | 0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/2020983.html
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