Information card for entry 1557319

Structure parameters

• Common name: 2-Amino-5-(2-chloroethyl)-3-cyano-6-cyclopropyl-4-methylpyridine
• Formula: C12 H14 Cl N3
• Calculated formula: C12 Cl N3
• Title of publication: Dimerization of Cyclopropanecarbonitrile Mediated by Grignard Reagents. Formation of Highly Substituted Pyridines
• Authors of publication: Kolsaker, Per; Songe, Pal; Romming, Christian
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 1104 - 1111
• a: 7.8618 ± 0.0003 Å
• b: 8.8618 ± 0.0003 Å
• c: 9.8959 ± 0.0003 Å
• α: 108.284 ± 0.002°
• β: 95.969 ± 0.002°
• γ: 104.129 ± 0.001°
• Cell volume: 622.51 ± 0.04 ų
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No