Information card for entry 2101122

Structure parameters

• Formula: C21 H25 N5 O2
• Calculated formula: C21 H25 N5 O2
• Title of publication: Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists
• Authors of publication: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 221 - 243
• a: 8.1451 ± 0.0002 Å
• b: 19.522 ± 0.004 Å
• c: 12.564 ± 0.005 Å
• α: 90°
• β: 106.78 ± 0.03°
• γ: 90°
• Cell volume: 1912.7 ± 0.9 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No