Information card for entry 1513170

Structure parameters

• Common name: N-(1H-Benzoimidazol-2-yl)-guanidine dihydrate
• Formula: C8 H10 N5 O
• Calculated formula: C8 H9 N5 O
• SMILES: [nH]1c2c(nc1N=C(N)N)cccc2.O
• Title of publication: A novel UV-MALDI-MS analytical approach for determination of halogenated phenyl-containing pesticides
• Authors of publication: Ivanova, Bojidarka; Spiteller, Michael
• Journal of publication: Ecotoxicology and Environmental Safety
• Year of publication: 2013
• Journal volume: 91
• Pages of publication: 86 - 95
• a: 16.512 ± 0.006 Å
• b: 5.3679 ± 0.0013 Å
• c: 10.385 ± 0.004 Å
• α: 90°
• β: 94.041 ± 0.011°
• γ: 90°
• Cell volume: 918.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.507
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No