Structures of nine histamine H2 antagonists related to N-cyano-N'-methyl-N'-[4-(2-pyridyl)butyl]guanidine

Autor:	David J. Watkin, Keith Prout, G. J. Durant, D. G. Cooper, Ch R Ganellin, K. Burns, G. S. Sach
Rok vydání:	1993
Předmět:	chemistry.chemical_compound Nitrile chemistry Stereochemistry Hydrogen bond X-ray crystallography General Medicine Crystal structure Triclinic crystal system Guanidine General Biochemistry Genetics and Molecular Biology Histamine Monoclinic crystal system
Zdroj:	Acta Crystallographica Section B Structural Science. 49:547-559
ISSN:	0108-7681
DOI:	10.1107/s0108768193000217
Popis:	The crystal and molecular structures of the following compounds showing histamine H2-antagonist activity have been determined: (1) N-Cyano-N'-methyl-N"-12[(2-pyridyl)methylthi_'o]ethyl } guanidine, C 11H 15 N5 S, Mr = 249.33, triclinic, P1, a = 7.482(2), b -- 9.775(2), c = 10.019(1) A, a -- 116.00(1),/3 = 102.00(2), "7 = 96.78(2) °, V = 625.7A 3, Z = 2, Dx = 1.32gcm -3, A(CuKa) 1.5418 A, # = 21.21 cm -~, F(000) = 264, R = 4.98% for 2490 observed reflexions. (2) N-Cyano-N'-methyl-N"- 12[(3-methoxy-2-pyridyl)methylthio]ethyl }guanidine, C12HITNsOS, Mr = 279.36, monoclinic, P21/a, a = 8.670(4), b = 14.095(4), c = 11.682(2)A, /3 = 99.32(7) ° , V = 1408.7A 3, Z = 4, Dx = 1.32gcm -3, A(MoKa) = 0.71069 A, # -- 2.3 cm -1, F(000) --- 592, R = 3.72% for 1880 observed reflexions. (3) N-Cyano-N~-methyl-N ''- { 2[(3-bromo-2-pyridyl)methylthio]ethyl } guanidine, C11H14
Databáze:	OpenAIRE
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