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CIF Information Card
Information card for 2013832
2013831 << 2013832 >> 2013833Preview
|
Coordinates |
2013832.cif |
|
Structure factors |
2013832.hkl |
Structure parameters
| Common name | 2-chlorophenyl m-nitrobenzenesulfonate |
| Formula | - C12 H8 Cl N O5 S - |
| Calculated formula | - C12 H8 Cl N O5 S - |
| Title of publication | 2-Chlorophenyl 3-nitrobenzenesulfonate and 2,4-dichlorophenyl 3-nitrobenzenesulfonate: supramolecular aggregation through C—H...O, π‒π and van der Waals interactions |
| Authors of publication | Nagarajan Vembu; Maruthai Nallu; Semih Durmus; Mathew Pazner; Jered Garrison; Wiley J. Youngs |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o65 - o68 |
| a | 7.4315 ± 0.0018 Å |
| b | 8.474 ± 0.002 Å |
| c | 10.991 ± 0.003 Å |
| α | 67.889 ± 0.004° |
| β | 85.22 ± 0.004° |
| γ | 81.617 ± 0.004° |
| Cell volume | 634.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |