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Information card for entry 2240671
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| Coordinates | 2240671.cif |
|---|---|
| Structure factors | 2240671.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>S</i>)-3-Methyl-2-[(naphthalen-1-ylsulfonyl)amino]butanoic acid |
|---|---|
| Formula | C15 H17 N O4 S |
| Calculated formula | C15 H17 N O4 S |
| SMILES | S(=O)(=O)(N[C@H](C(=O)O)C(C)C)c1cccc2c1cccc2 |
| Title of publication | Crystal structure of (2<i>S</i>)-3-methyl-2-[(naphthalen-1-ylsulfonyl)amino]butanoic acid |
| Authors of publication | Danish, Muhammad; Tahir, Muhammad Nawaz; Jabeen, Nabila; Raza, Muhammad Asam |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o308 |
| a | 5.5006 ± 0.0003 Å |
| b | 13.7638 ± 0.0008 Å |
| c | 20.2148 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1530.45 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0583 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240671.cif 2240671.hkl |
| 136453 | 2015-05-13 | cif/ hkl/ Adding structures of 2240671 via cif-deposit CGI script. |
2240671.cif 2240671.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.