Information card for entry 2017694

Structure parameters

• Chemical name: 2-{1-[(4-Fluoroanilino)methylidene]ethyl}pyridinium chloride methanol disolvate
• Formula: C15 H21 Cl F N3 O2
• Calculated formula: C15 H21 Cl F N3 O2
• SMILES: [Cl-].N(/N=C(\C)c1[nH+]cccc1)c1ccc(F)cc1.OC.OC
• Title of publication: Structural comparison of three <i>N</i>-(4-halogenophenyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides
• Authors of publication: Heilmann-Brohl, Julia; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o364 - o368
• a: 7.0088 ± 0.0008 Å
• b: 11.7258 ± 0.0014 Å
• c: 21.843 ± 0.002 Å
• α: 96.321 ± 0.009°
• β: 92.066 ± 0.009°
• γ: 107.247 ± 0.009°
• Cell volume: 1699.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes