Information card for entry 2204113

Structure parameters

• Common name: 1-phosphoramido-2-aminobenzimidazole
• Chemical name: 1-(N,N,N',N'-Tertramethylphosphoramido)-2-aminobenz[d]imidazole
• Formula: C11 H18 N5 O P
• Calculated formula: C11 H18 N5 O P
• SMILES: P(=O)(n1c(nc2ccccc12)N)(N(C)C)N(C)C
• Title of publication: 2-Amino-1-[bis(<i>N</i>,<i>N</i>-dimethylamino)phosphoramido]benzimidazole
• Authors of publication: Raouafi, NourEddine; Freytag, Matthias; Jones, Peter G.; BenKhoud, Mohamed Lamine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1583 - o1585
• a: 9.8997 ± 0.0006 Å
• b: 10.5514 ± 0.0006 Å
• c: 13.739 ± 0.001 Å
• α: 90°
• β: 103.613 ± 0.003°
• γ: 90°
• Cell volume: 1394.8 ± 0.16 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No