Information card for entry 2238221

Structure parameters

• Common name: m-Xylylene dichloride
• Chemical name: 1,3-Bis(chloromethyl)benzene
• Formula: C8 H8 Cl2
• Calculated formula: C8 H8 Cl2
• SMILES: ClCc1cccc(c1)CCl
• Title of publication: 1,3-Bis(chloromethyl)benzene
• Authors of publication: Sanders, Marisa B.; Leon, David; Ndichie, Eddy I.; Chan, Benny C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1150
• a: 8.5174 ± 0.0005 Å
• b: 12.3094 ± 0.0007 Å
• c: 15.2597 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1599.89 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes