POLYIODIDE SALTS AND MOLECULAR-COMPLEXES .7. INTERACTION OF THIONES WITH MOLECULAR DIIODINE - THE CRYSTAL-STRUCTURES OF DITHIZONE DIIODINE, ETHYLENETHIOUREA-BIS(DIIODINE), BIS(ETHYLENETHIOUREA)-TRIS(DIIODINE), BIS(DITHIZONE)-HEPTAKIS(DIIODINE), AND 1-(1-IMIDAZOLIN-2-YL)-2-THIOXOIMIDAZOLIDINIUM TRIIODIDE-(ETHYLENETHIOUREA-DIIODINE)DI
POLYIODIDE SALTS AND MOLECULAR-COMPLEXES .7. INTERACTION OF THIONES WITH MOLECULAR DIIODINE - THE CRYSTAL-STRUCTURES OF DITHIZONE DIIODINE, ETHYLENETHIOUREA-BIS(DIIODINE), BIS(ETHYLENETHIOUREA)-TRIS(DIIODINE), BIS(DITHIZONE)-HEPTAKIS(DIIODINE), AND 1-(1-IMIDAZOLIN-2-YL)-2-THIOXOIMIDAZOLIDINIUM TRIIODIDE-(ETHYLENETHIOUREA-DIIODINE)DI
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DOI：
10.1021/ja00320a024
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发表时间：
1984-01-01
影响因子：
15
通讯作者：
SCHWOTZER, W
中科院分区：
文献类型：
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作者：
HERBSTEIN, FH;SCHWOTZER, W
抽象的;描述了双硫腙或乙撑硫脲作为供体与二碘作为受体形成的四种中性电荷转移分子化合物的晶体结构。双硫腙-I2 是单斜晶系（a= 12.233 (8) Á，b= 11.713 (8) Á，c= 12.030 (8) A，ß= 102.8 (1)，Z= 4，空间群 P2l/n；RF= 0.059），并且包含分子式的离散部分，其中二碘片段大致垂直于双硫腙片段。亚乙基硫脲-2 (I2) 是三斜晶系（a= 10.276 (7) A、b= 9.176 (6) A、c= 6.792 (5) A、a= 105.1 (1)、ß= 81.0 (1)、y= 96.4 (1)、Z= 2，空间群 Pi；RF= 0.041），包含以下离散部分分子式；整个部分具有扭曲的 U 形状。 2 (亚乙基硫脲)-3 (I2) 是三斜晶系 (a= 9.362 (6) A, b= 9.176 (6) A, c= 7.434 (5) A, a= 116.9 (1), ß= 72.5 (1), y= 114.7 (1), Z= 1，空间群P\；RF=0.063)，具有中心对称的扭链结构，两个供体分子之间夹有三个碘分子；该结构类似于双(((三苯基硫化膦-5)碘)-/)碘的结构(Bransford；Meyers Cryst.Struct.Commun.1978, 7, 697-702)。 2 (双硫腙)-7 (I2) 是三斜晶系（a= 13.312 (8) A、b= 20.637 (7) A、c= 9.746 (6) A、a= 101.8 (1)、ß= 87.1 (1)、y= 109.4 (1)、Z= 1，空间群 Pi；RF= 0.086），并且具有中心对称、支化的碘分子扭曲链，其末端通过强烈的硫-碘相互作用固定。介于这些中性结构和聚碘化物盐之间的是盐-分子复合物 1-(1-咪唑啉-2-基)-2-硫代咪唑啉鎓三-
Abstract; The crystal structures of four neutral charge-transfer molecular compounds formed between dithizone or ethylenethiourea, as donors, and diiodine, as acceptor, are described. Dithizone-I2 is monoclinic (a= 12.233 (8) Á, b= 11.713 (8) Á, c= 12.030 (8) A, ß= 102.8 (1), Z= 4, space group P2l/n; RF= 0.059) and contains discrete moieties of the molecular formula with the diiodine fragment approximately normal to the dithizone fragment. Ethylenethiourea-2 (I2) is triclinic (a= 10.276 (7) A, b= 9.176 (6) A, c= 6.792 (5) A, a= 105.1 (1), ß= 81.0 (1), y= 96.4 (1), Z= 2, space group Pi; RF= 0.041) and contains discrete moieties of the molecular formula; the moiety as a whole has the shape of a twisted U. 2 (Ethylenethiourea)-3 (I2) is triclinic (a= 9.362 (6) A, b= 9.176 (6) A, c= 7.434 (5) A, a= 116.9 (1), ß= 72.5 (1), y= 114.7 (1), Z= 1, space group P\; RF= 0.063) and has a centrosymmetric twisted-chain structure with three iodine molecules held between the two donor molecules; this structure is similar to that of bis (((triphenylphosphine sulfide-5) iodine)-/) iodine (Bransford; Meyers Cryst. Struct. Commun. 1978, 7, 697-702). 2 (Dithizone)-7 (I2) is triclinic (a= 13.312 (8) A, b= 20.637 (7) A, c= 9.746 (6) A, a= 101.8 (1), ß= 87.1 (1), y= 109.4 (1), Z= 1, space group Pi; RF= 0.086) and has a centrosymmetric, branched twisted chain of iodine molecules held at its ends by strong sulfur-iodine interactions. Intermediate between these neutral structures and the polyiodide salts is the salt-molecule complex 1-(1-imidazolin-2-yl)-2-thioxoimidazolidinium tri-