Information card for entry 2101051

Structure parameters

• Formula: C12 H8 Cl2 O2 S
• Calculated formula: C12 H8 Cl2 O2 S
• SMILES: Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl
• Title of publication: Structure of the incommensurate phase of 4,4'-dichlorobiphenyl sulfone at 90 K
• Authors of publication: Zúñiga, F. J.; Pérez-Mato, J. M.; Breczewski, T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1060 - 1068
• a: 20.2 ± 0.02 Å
• b: 4.91 ± 0.002 Å
• c: 12.054 ± 0.009 Å
• α: 90°
• β: 90.02 ± 0.04°
• γ: 90°
• Cell volume: 1195.5 ± 1.6 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No