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Information card for entry 2228648
Preview
Coordinates | 2228648.cif |
---|---|
Structure factors | 2228648.hkl |
Original IUCr paper | HTML |
External links | PubChem |
Chemical name | 2,4-Dimethyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide |
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Formula | C15 H17 N O2 S |
Calculated formula | C15 H17 N O2 S |
SMILES | Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1C)C |
Title of publication | 2,4-Dimethyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide |
Authors of publication | Nirmala, P. G.; Foro, Sabine; Gowda, B. Thimme |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | o6 |
a | 10.623 ± 0.001 Å |
b | 10.77 ± 0.001 Å |
c | 25.513 ± 0.002 Å |
α | 90° |
β | 97.927 ± 0.006° |
γ | 90° |
Cell volume | 2891 ± 0.4 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299 ± 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 | 0.0638 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1072 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2228648.cif 2228648.hkl |
181207 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/86. |
2228648.cif 2228648.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228648.cif 2228648.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228648.cif 2228648.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228648.cif 2228648.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228648.cif 2228648.hkl |
11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228648.cif 2228648.hkl |
9778 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228648 via cif-deposit CGI script. |
2228648.cif |
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Users of the data should acknowledge the original authors of the
structural data.