Information card for entry 2233728

Structure parameters

• Chemical name: 2-(8-Bromoimidazo[1,2-<i>a</i>]pyridin-2-yl)-<i>N</i>'-[(<i>E</i>)- 4-diethylamino-2-hydroxybenzylidene]acetohydrazide dihydrate
• Formula: C20 H26 Br N5 O4
• Calculated formula: C20 H26 Br N5 O4
• SMILES: Brc1c2nc(cn2ccc1)CC(=O)N/N=C/c1ccc(N(CC)CC)cc1O.O.O
• Title of publication: 2-(8-Bromoimidazo[1,2-<i>a</i>]pyridin-2-yl)-<i>N</i>'-[(<i>E</i>)-4-diethylamino-2-hydroxybenzylidene]acetohydrazide dihydrate
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Shenvi, Seema; Isloor, Arun M.; Hegde, Gurumurthy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o816 - o817
• a: 8.437 ± 0.0004 Å
• b: 10.6711 ± 0.0005 Å
• c: 11.7559 ± 0.0005 Å
• α: 92.914 ± 0.001°
• β: 96.949 ± 0.001°
• γ: 93.978 ± 0.001°
• Cell volume: 1046.23 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes