Information card for entry 7051497

Structure parameters

• Formula: C5 H5 I2 N
• Calculated formula: C5 H5 I2 N
• SMILES: Ic1cc[nH+]cc1.[I-]
• Title of publication: Hydrogen bonding and halogen...halogen contacts in 4-halopyridinium halides
• Authors of publication: Freytag, Matthias; Jones, Peter G.; Ahrens, Birte; Fischer, Axel
• Journal of publication: New Journal of Chemistry
• Year of publication: 1999
• a: 4.5303 ± 0.0006 Å
• b: 21.784 ± 0.003 Å
• c: 8.0761 ± 0.0012 Å
• α: 90°
• β: 102.729 ± 0.004°
• γ: 90°
• Cell volume: 777.42 ± 0.19 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No