Information card for entry 7208677

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: 19.875 ± 0.006 Å
• b: 39.36 ± 0.03 Å
• c: 4.398 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3440 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 80000 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: 0.1145
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No