Information card for entry 7230893

Structure parameters

• Chemical name: (1R*,2S*)-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid
• Formula: C19 H21 N5 O3
• Calculated formula: C19 H21 N5 O3
• Title of publication: Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
• Authors of publication: Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 29
• Pages of publication: 4179
• a: 10.596 ± 0.001 Å
• b: 12.337 ± 0.0012 Å
• c: 13.722 ± 0.002 Å
• α: 90°
• β: 102.789 ± 0.013°
• γ: 90°
• Cell volume: 1749.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.105
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No