Information card for entry 2222988

Structure parameters

• Chemical name: 4,5-Bis(1<i>H</i>-imidazol-1-ylmethyl)acridine monohydrate
• Formula: C21 H19 N5 O
• Calculated formula: C21 H19 N5 O
• SMILES: c12c(cccc1cc1cccc(c1n2)Cn1ccnc1)Cn1ccnc1.O
• Title of publication: 4,5-Bis(1<i>H</i>-imidazol-1-ylmethyl)acridine monohydrate
• Authors of publication: Thenmozhi, S.; Ranjith, S.; Raja, S.; Rajakumar, P.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2211
• a: 14.3359 ± 0.0006 Å
• b: 6.9132 ± 0.0003 Å
• c: 17.7458 ± 0.0008 Å
• α: 90°
• β: 92.895 ± 0.003°
• γ: 90°
• Cell volume: 1756.49 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes