Information card for entry 2022107

Structure parameters

• Chemical name: 2-[(2<i>E</i>)-2-(1<i>H</i>-Imidazol-4-ylmethylidene)-1-methylhydrazinyl]pyridine
• Formula: C10 H11 N5
• Calculated formula: C10 H11 N5
• SMILES: n1ccccc1N(C)/N=C/c1[nH]cnc1
• Title of publication: Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands
• Authors of publication: Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 367 - 374
• a: 10.1953 ± 0.0004 Å
• b: 14.2866 ± 0.0005 Å
• c: 14.9027 ± 0.0005 Å
• α: 90°
• β: 103.845 ± 0.003°
• γ: 90°
• Cell volume: 2107.6 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes