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CIF Information Card
Information card for 2013833
2013832 << 2013833 >> 2013834Preview
|
Coordinates |
2013833.cif |
|
Structure factors |
2013833.hkl |
Structure parameters
| Formula | - C12 H7 Cl2 N O5 S - |
| Calculated formula | - C12 H7 Cl2 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 | 6.878 ± 0.005 Å |
| b | 13.33 ± 0.01 Å |
| c | 14.99 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1374.3 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |