1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt.
1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt.
复制标题
1,2-双[(吡啶-2-基甲基)硫烷基]乙烷及其二晶型盐酸盐。
DOI：
--
复制
发表时间：
2011
期刊：
影响因子：
--
通讯作者：
C. McKenzie
中科院分区：
文献类型：
--
作者：
A. Lennartson;C. McKenzie
尽管在文献中描述为液体已有41年，但现在通过一种新的和方便的纯化方法获得了单斜晶体形式的1，2-双[（吡啶-2-基甲基）硫基]乙烷，C（14）H（16）N（2）S（2），（I）。（I）的分子位于晶体学反转中心上，并通过C-H···N和C-H···S相互作用保持在一起，导致形成三维网络结构。此外，还分离出相应盐酸盐2-[（{2-[（吡啶-1-鎓-2-基甲基）硫基]乙基}硫基）甲基]吡啶-1-鎓二氯化物的两种多晶型物，C（14）H（18）N（2）S（2）（2+）·2Cl（-），（II）和（III）。分子（II）和（III）具有相似的构象，并位于反转中心。这两种多晶型通过N-H···Cl、C-H···Cl和C-H···S相互作用形成三维网络。（III）的结构显示35埃的空隙（3）。
Although having been described as a liquid in the literature for 41 years, 1,2-bis[(pyridin-2-ylmethyl)sulfanyl]ethane, C(14)H(16)N(2)S(2), (I), has now been obtained as monoclinic crystals via a new and convenient method of purification. Molecules of (I) are located on crystallographic inversion centres and are held together by C-H···N and C-H···S interactions, resulting in the formation of a three-dimensional network structure. In addition, two polymorphs of the corresponding hydrochloride salt, 2-[({2-[(pyridin-1-ium-2-ylmethyl)sulfanyl]ethyl}sulfanyl)methyl]pyridin-1-ium dichloride, C(14)H(18)N(2)S(2)(2+)·2Cl(-), (II) and (III), have been isolated. Molecules of (II) and (III) have similar conformations and are located on inversion centres. Both polymorphs form three-dimensional networks through N-H···Cl, C-H···Cl and C-H···S interactions. The structure of (III) displays voids of 35 Å(3).