Information card for entry 8101561

Structure parameters

• Formula: C14 H15 N3 O2
• Calculated formula: C14 H15 N3 O2
• SMILES: N(C(=[NH2+])Nc1ccccc1)c1ccccc1.C(=O)[O-]
• Title of publication: Crystal structure of N,N'-diphenylguanidinium formate, C~14~H~15~N~3~O~2~
• Authors of publication: Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 475 - 476
• a: 6.363 ± 0.004 Å
• b: 12.535 ± 0.004 Å
• c: 16.641 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1327.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0766
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No