Information card for entry 2224293

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(1<i>H</i>-Pyrrol-2-ylmethylidene)hydrazinyl]pyridine monohydrate
• Formula: C10 H12 N4 O
• Calculated formula: C10 H12 N4 O
• SMILES: O.n1c(N/N=C/c2[nH]ccc2)cccc1
• Title of publication: 2-[(<i>E</i>)-(1<i>H</i>-Pyrrol-2-ylmethylidene)hydrazinyl]pyridine monohydrate
• Authors of publication: de Lima, Geraldo M.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3241
• a: 5.6479 ± 0.0003 Å
• b: 7.4383 ± 0.0004 Å
• c: 24.4233 ± 0.0011 Å
• α: 90°
• β: 103.3 ± 0.003°
• γ: 90°
• Cell volume: 998.52 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.041
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes