Information card for entry 2100959

Structure parameters

• Formula: C13 H21 N5 O
• Calculated formula: C13 H21 N5 O
• SMILES: N#C/N=C(\NCCCCc1ncccc1C)NC.O
• Title of publication: Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine
• Authors of publication: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 547 - 559
• a: 7.86 ± 0.002 Å
• b: 9.388 ± 0.001 Å
• c: 9.706 ± 0.001 Å
• α: 92.96 ± 0.01°
• β: 95.89 ± 0.01°
• γ: 91.49 ± 0.01°
• Cell volume: 711.1 ± 0.2 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: 1.54018 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No