Information card for entry 2000787

Structure parameters

• Formula: C17 H22 N5 O2
• Calculated formula: C17 H22 N5 O1.5
• SMILES: CN1CCN(CC1)C1=Nc2cccnc2Nc2c1cccc2.O.O
• Title of publication: Structure du 6-(4-méthylpipérazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazépine 1,5-hydrate
• Authors of publication: Dupont, L.; Englebert, S.; Dideberg, O.; Liégeois, J. F.; Delarge, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 1322 - 1324
• a: 11.268 ± 0.003 Å
• b: 12.815 ± 0.003 Å
• c: 13.72 ± 0.004 Å
• α: 107.37 ± 0.01°
• β: 98.15 ± 0.02°
• γ: 110.42 ± 0.01°
• Cell volume: 1703.7 ± 0.8 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No