Information card for entry 2100963

Structure parameters

• Formula: C13 H21 N5 O2
• Calculated formula: C13 H21 N5 O2
• SMILES: N#C/N=C(/NCCCCc1ccc(cn1)OC)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: 7.7 ± 0.001 Å
• b: 9.331 ± 0.001 Å
• c: 10.767 ± 0.001 Å
• α: 78.52 ± 0.01°
• β: 85.56 ± 0.01°
• γ: 76.46 ± 0.01°
• Cell volume: 736.66 ± 0.15 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: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No