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盐酸去甲替林的结构。

Structure of nortriptyline hydrochloride.

作者信息

Klein C L, Banks T A, Rouselle D

机构信息

Department of Chemistry, Xavier University of Louisiana, New Orleans 70125.

出版信息

Acta Crystallogr C. 1991 Jul 15;47 ( Pt 7):1478-80. doi: 10.1107/s010827019001280x.

DOI:10.1107/s010827019001280x
PMID:1930823
Abstract

C19H22N+.Cl-, Mr = 299.84, monoclinic, P2(1)/c, a = 5.070 (2), b = 34.088 (5), c = 9.976 (1) A, beta = 90.74 (2) degrees, V = 1724.0 A3, Z = 4, Dx = 1.16 g cm-3, lambda (Mo K alpha 1) = 0.70930 A, mu = 2.2 cm-1, F(000) = 640, T = 295 K, final R = 0.046 for 1381 observed reflections. The nortriptyline molecule crystallized with a 'butterfly' fold angle of 124.3 (2) degrees and an extended propylamino side chain. The amino nitrogen is involved in hydrogen bonds to two different chloride ions.

摘要

C19H22N⁺·Cl⁻,Mr = 299.84,单斜晶系,P2(1)/c,a = 5.070(2),b = 34.088(5),c = 9.976(1) Å,β = 90.74(2)°,V = 1724.0 ų,Z = 4,Dx = 1.16 g cm⁻³,λ(Mo Kα1) = 0.70930 Å,μ = 2.2 cm⁻¹,F(000) = 640,T = 295 K,对于1381个观测反射,最终R = 0.046。去甲替林分子以124.3(2)°的“蝴蝶”折叠角和一个伸展的丙氨基侧链结晶。氨基氮参与与两个不同氯离子的氢键形成。

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