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Information card for entry 7214574
Preview
| Coordinates | 7214574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Sulfacetamide-acetamide |
|---|---|
| Chemical name | Sulfacetamide-acetamide 1:1 |
| Formula | C10 H15 N3 O4 S |
| Calculated formula | C10 H15 N3 O4 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)N)NC(=O)C.O=C(N)C |
| Title of publication | Synthon polymorphs of sulfacetamide‒acetamide cocrystal based on N‒H⋯OS and N‒H⋯OC hydrogen bonding |
| Authors of publication | Goud, N. Rajesh; Nangia, Ashwini |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 37 |
| Pages of publication | 7456 |
| a | 11.2134 ± 0.0006 Å |
| b | 7.7976 ± 0.0004 Å |
| c | 16.128 ± 0.0007 Å |
| α | 90° |
| β | 103.26 ± 0.005° |
| γ | 90° |
| Cell volume | 1372.6 ± 0.12 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180476 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/45. |
7214574.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7214574.cif |
| 110310 | 2014-04-18 | cif/ Adding structures of 7214574, 7214575 via cif-deposit CGI script. |
7214574.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.