Information card for entry 7200391

Structure parameters

• Common name: 1,2-bis-(2-aminobenzoyl)hydrazine
• Chemical name: 1,2-bis-(2-aminobenzoyl)hydrazine
• Formula: C14 H14 N4 O2
• Calculated formula: C14 H14 N4 O2
• SMILES: O=C(NNC(=O)c1c(cccc1)N)c1ccccc1N
• Title of publication: Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation
• Authors of publication: Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 610 - 619
• a: 9.1158 ± 0.0003 Å
• b: 9.9478 ± 0.0004 Å
• c: 13.7725 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1248.92 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No