Information card for entry 2100912

Structure parameters

• Formula: C9 H14 N4 O
• Calculated formula: C9 H14 N4 O
• SMILES: o1nc(nc1C1C2CCN(C1)CC2)N
• Title of publication: Structure and conformation of the muscarinic agonists 3-(3-amino-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octane and 1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxaldehyde oxime and related tertiary amine, quaternary ammonium and sulfonium analogues
• Authors of publication: Kooijman, H.; Kanters, J. A.; Kroon, J.; Kelder, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 356 - 366
• a: 6.607 ± 0.001 Å
• b: 8.2157 ± 0.0008 Å
• c: 9.287 ± 0.001 Å
• α: 105.52 ± 0.01°
• β: 93.88 ± 0.01°
• γ: 91.79 ± 0.01°
• Cell volume: 483.98 ± 0.1 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No