Information card for entry 2203397

Structure parameters

• Common name: 1-arylated vinamidinium salt.
• Chemical name: 1-Dimethylamino-3-dimethylimino-1-phenylprop-1-ene perchlorate
• Formula: C13 H19 Cl N2 O4
• Calculated formula: C13 H19 Cl N2 O4
• SMILES: Cl(=O)(=O)(=O)[O-].N(C(=CC=[N+](C)C)c1ccccc1)(C)C
• Title of publication: 1-Dimethylamino-3-dimethylimino-1-phenylprop-1-ene perchlorate
• Authors of publication: Girija, C. R.; Noor Shahina Begum; Sridhar, M. A.; Lokanath, N. K.; Prasad, J. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o586 - o588
• a: 11.3858 ± 0.0018 Å
• b: 7.7718 ± 0.0014 Å
• c: 18.194 ± 0.003 Å
• α: 90°
• β: 104.374 ± 0.012°
• γ: 90°
• Cell volume: 1559.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No