Information card for entry 7100052

Structure parameters

• Common name: N-((3-pyridyl)methyl)benzimidazole, 4-NO2-PhCOOH, 3,5-di(NO2)- PhCOOH
• Formula: C27 H20 N6 O10
• Calculated formula: C27 H20 N6 O10
• Title of publication: Supramolecular Reagents: Versatile Tools for Non-covalent Synthesis
• Authors of publication: C. Aakeroy; John Desper; Joaquin F. Urbina
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.7602 ± 0.0011 Å
• b: 15.269 ± 0.002 Å
• c: 22.456 ± 0.003 Å
• α: 82.064 ± 0.003°
• β: 81.61 ± 0.003°
• γ: 78.915 ± 0.003°
• Cell volume: 2566.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No