Information card for entry 8101675

Structure parameters

• Chemical name: 1,4-di(1-imidazolylbutan) dihydrate
• Formula: C10 H18 N4 O2
• Calculated formula: C10 H18 N4 O2
• Title of publication: Crystal structures of 1,4-di(1-imidazolyl)butane dihydrochloride, (C~10~H~16~N~4~)Cl~2~, and 1,4-di(1-imidazolyl)butane dihydrate, C~10~H~14~N~4~ · 2H~2~O
• Authors of publication: M. Królikowska; J. Garbarczyk
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 103 - 104
• a: 14.775 ± 0.003 Å
• b: 5.222 ± 0.001 Å
• c: 15.604 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1203.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.3112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No