Information card for entry 8101790

Structure parameters

• Chemical name: o-cyanoaniline hydrochloride
• Formula: C7 H7 Cl N2
• Calculated formula: C7 H7 Cl N2
• SMILES: [Cl-].[NH3+]c1c(cccc1)C#N
• Title of publication: Crystal structure of o-cyanoaniline hydrochloride, (NCC~6~H~4~NH~3~)Cl
• Authors of publication: Oueslati, A.; Kefi, R.; Akriche, S.; Ben Nasr, C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 365 - 366
• a: 5.658 ± 0.005 Å
• b: 15.406 ± 0.009 Å
• c: 8.234 ± 0.008 Å
• α: 90°
• β: 93.18 ± 0.09°
• γ: 90°
• Cell volume: 716.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No