Information card for entry 2001990

Structure parameters

• Formula: C8 H12 N4
• Calculated formula: C8 H12 N4
• SMILES: N#CCN1CCCN(C1)CC#N
• Title of publication: 1,3-Dicyanomethylhexahydropyrimidine
• Authors of publication: Shoja, M.; Saba, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 354 - 355
• a: 8.303 ± 0.014 Å
• b: 8.733 ± 0.001 Å
• c: 12.998 ± 0.002 Å
• α: 90°
• β: 107.73 ± 0.02°
• γ: 90°
• Cell volume: 897.7 ± 1.5 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No