Information card for entry 2007119

Structure parameters

• Common name: efaroxan hydrochloride
• Chemical name: [2-[2-ethyl-2,3-dihydro-2-benzofuranyl]]-2-imidazolinium chloride
• Formula: C13 H17 Cl N2 O
• Calculated formula: C13 H17 Cl N2 O
• SMILES: [Cl-].O1C(Cc2ccccc12)(C1=[NH+]CCN1)CC
• Title of publication: Polymorph II of 2-(2-Ethyl-2,3-dihydro-1-benzofuran-2-yl)imidazolinium Chloride
• Authors of publication: Belin, Claude; Pena, Richard; Chauvet, Alain; Ribet, Jean Paul; Maurel, Jean Louis
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: IUC9800004
• a: 7.086 ± 0.002 Å
• b: 8.329 ± 0.003 Å
• c: 11.655 ± 0.005 Å
• α: 71.22 ± 0.05°
• β: 85.53 ± 0.03°
• γ: 86.14 ± 0.04°
• Cell volume: 648.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.211
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes