Information card for entry 2015716

Structure parameters

• Formula: C4 H5 N3
• Calculated formula: C4 H5 N3
• SMILES: N#CCNCC#N
• Title of publication: Structure of iminodiacetonitrile
• Authors of publication: Kaida, S.; Minemoto, H.; Shimizu, T.; Sonoda, N.; Miki, K.; Kasai, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1990
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 2269 - 2270
• a: 6.494 ± 0.002 Å
• b: 7.821 ± 0.002 Å
• c: 5.345 ± 0.002 Å
• α: 90°
• β: 114.31 ± 0.02°
• γ: 90°
• Cell volume: 247.4 ± 0.14 ų
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No