Information card for entry 7238220

Structure parameters

• Common name: 1-(Chloromethyl)benzene
• Chemical name: 1-(Chloromethyl)benzene
• Formula: C7 H7 Cl
• Calculated formula: C7 H7 Cl
• Title of publication: Directing role of functional groups in selective generation of C–H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives
• Authors of publication: Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3112
• a: 8.2424 ± 0.0019 Å
• b: 11.268 ± 0.003 Å
• c: 7.8204 ± 0.0018 Å
• α: 90°
• β: 112.657 ± 0.003°
• γ: 90°
• Cell volume: 670.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No