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组胺H2受体拮抗剂的结构研究。五种3-[2-(二氨基亚甲基氨基)-4-噻唑基甲硫基]丙脒和酰胺衍生物。

Structural study of histamine H2-receptor antagonists. Five 3-[2-(diamino-methyleneamino)-4-thiazolylmethylthio]propionamidine and -amide derivatives.

作者信息

Ishida T, In Y, Doi M, Inoue M, Yanagisawa I

机构信息

Osaka University of Pharmaceutical Sciences, Japan.

出版信息

Acta Crystallogr B. 1989 Oct 1;45 ( Pt 5):505-12. doi: 10.1107/s0108768189006634.

DOI:10.1107/s0108768189006634
PMID:2574586
Abstract

(1) N2-Cyano-3-[2-(diaminomethyleneamino)-4- thiazolylmethylthio]propionamidine monohydrate, C9H13N7S2.H2O, Mr = 301.39, P1, a = 11.089 (4), b = 9.130 (6), c = 7.033 (5) A, alpha = 100.99 (6), beta = 83.86 (5), gamma = 86.80 (7) degrees, V = 692.9 (6) A3, Z = 2, Dm = 1.443 (2), Dx = 1.444 g cm-3, lambda(Cu K alpha) = 1.5418 A, mu = 34.86 cm-1, F(000) = 316, T = 293 K, R = 0.043 for 2219 reflections. (2) 3-[2-Diaminomethyleneamino)-4- thiazolylmethylthio]-N2-sulfamoylpropionamidine (famotidine) hydrochloride, C8H15N7O2S3.HCl, Mr = 373.90, Cc, a = 15.205 (3), b = 14.442 (3), c = 9.262 (1) A, beta = 124.00 (5) degrees, V = 1686.1 (7) A3, Z = 4, Dm = 1.470 (2), Dx = 1.473 g cm-3, mu(Cu K alpha) = 56.09 cm-1, F(000) = 776, T = 293 K, R = 0.036 for 1411 reflections. (3) 3-[2-(Diaminomethyleneamino)-4-thiazolylmethylthio]-propi ona mide, C8H13N5OS2, Mr = 259.35, P2(1)2(1)2(1), a = 5.472 (1), b = 18.260 (5), c = 11.890 (3) A, V = 1188.0 (5) A3, Z = 4, Dm = 1.448 (1), Dx = 1.450 g cm-3, mu(Cu K alpha) = 39.26 cm-1, F(000) = 544, T = 293 K, R = 0.036 for 1260 reflections.(ABSTRACT TRUNCATED AT 250 WORDS)

摘要

(1) N2-氰基-3-[2-(二氨基亚甲基氨基)-4-噻唑基甲硫基]丙脒一水合物，C9H13N7S2·H2O，Mr = 301.39，P1空间群，a = 11.089(4)，b = 9.130(6)，c = 7.033(5) Å，α = 100.99(6)，β = 83.86(5)，γ = 86.80(7)°，V = 692.9(6) Å3，Z = 2，Dm = 1.443(2)，Dx = 1.444 g cm-3，λ(Cu Kα) = 1.5418 Å，μ = 34.86 cm-1，F(000) = 316，T = 293 K，对2219个反射的R = 0.043。(2) 3-[2-(二氨基亚甲基氨基)-4-噻唑基甲硫基]-N2-氨磺酰丙脒（法莫替丁）盐酸盐，C8H15N7O2S3·HCl，Mr = 373.90，Cc空间群，a = 15.205(3)，b = 14.442(3)，c = 9.262(1) Å，β = 124.00(5)°，V = 1686.1(7) Å3，Z = 4，Dm = 1.470(2)，Dx = 1.473 g cm-3，μ(Cu Kα) = 56.09 cm-1，F(000) = 776，T = 293 K，对1411个反射的R = 0.036。(3) 3-[2-(二氨基亚甲基氨基)-4-噻唑基甲硫基]丙酰胺，C8H13N5OS2，Mr = 259.35，P2(1)2(1)2(1)空间群，a = 5.472(1)，b = 18.260(5)，c = 11.890(3) Å，V = 1188.0(5) Å3，Z = 4，Dm = 1.448(1)，Dx = 1.450 g cm-3，μ(Cu Kα) = 39.26 cm-1，F(000) = 544，T = 293 K，对1260个反射的R = 0.036。（摘要截断于250字）

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