Information card for entry 2101374

Structure parameters

• Formula: C9 H9 Cl3
• Calculated formula: C9 H9 Cl3
• SMILES: Cc1c(Cl)c(C)c(c(c1Cl)C)Cl
• Title of publication: Structure of 1,3,5-trichloro-2,4,6-trimethylbenzene at 150 and 297 K, molecular motion and reorientation
• Authors of publication: Tazi, M.; Meinnel, J.; Sanquer, M.; Nusimovici, M.; Tonnard, F.; Carrie, R.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 838 - 847
• a: 7.646 ± 0.003 Å
• b: 8.789 ± 0.006 Å
• c: 8.827 ± 0.003 Å
• α: 59.78 ± 0.04°
• β: 66.03 ± 0.03°
• γ: 72.69 ± 0.04°
• Cell volume: 465.1 ± 0.4 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No