Information card for entry 2011888

Structure parameters

• Chemical name: (Z)-1-(4-morpholino-5-nitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone
• Formula: C20 H25 N9 O8
• Calculated formula: C20 H25 N9 O8
• SMILES: n1(cnc(c1N(=O)=O)N1CCOCC1)C\C(=N/Nc1c(cc(cc1)N(=O)=O)N(=O)=O)CN1CCOCC1
• Title of publication: Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten
• Authors of publication: Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 462 - 466
• a: 8.0664 ± 0.0006 Å
• b: 12.3698 ± 0.001 Å
• c: 13.228 ± 0.0013 Å
• α: 111.282 ± 0.008°
• β: 106.037 ± 0.007°
• γ: 90.735 ± 0.006°
• Cell volume: 1172.55 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes