Information card for entry 2233962

Structure parameters

• Chemical name: 2-{(<i>E</i>)-1-[2-(2-Nitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol monohydrate
• Formula: C14 H15 N3 O5
• Calculated formula: C14 H15 N3 O5
• SMILES: Oc1c(c(O)ccc1)/C(=N/Nc1c(N(=O)=O)cccc1)C.O
• Title of publication: 2-{(<i>E</i>)-1-[2-(2-Nitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol monohydrate
• Authors of publication: Howie, R. Alan; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o765 - o766
• a: 7.6448 ± 0.0006 Å
• b: 21.405 ± 0.002 Å
• c: 8.5755 ± 0.0007 Å
• α: 90°
• β: 106.976 ± 0.005°
• γ: 90°
• Cell volume: 1342.1 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes