Information card for entry 7208679

Structure parameters

• Common name: 2-(3-chlorophenyl)-imidazoline
• Chemical name: 2-(3-chlorophenyl)-imidazoline
• Formula: C9 H9 Cl N2
• Calculated formula: C9 H9 Cl N2
• SMILES: Clc1cc(ccc1)C1=NCCN1
• Title of publication: Negative linear compression and expanding NH⋯N bonds in an imidazoline compound
• Authors of publication: Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6424
• a: 19.659 ± 0.009 Å
• b: 38.94 ± 0.04 Å
• c: 4.07 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3116 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 1200000 kPa
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1802
• Residual factor for significantly intense reflections: 0.1266
• Weighted residual factors for significantly intense reflections: 0.2628
• Weighted residual factors for all reflections included in the refinement: 0.2861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No