[CuBr(2,11-dithia[3.3]paracyclophane)]*MeCN | 783332-25-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [CuBr(2,11-dithia[3.3]paracyclophane)]*MeCN
• CAS: 783332-25-2
• 化学式: Br*C₂H₃N*C₁₆H₁₆S₂*Cu
• 分子量: 456.938
• InChiKey: ATLJFEMYFRZABK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  23.79
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [CuBr(2,11-dithia[3.3]paracyclophane)]*MeCN 以 neat (no solvent, solid phase) 为溶剂， 生成 [CuBr(2,11-dithia[3.3]paracyclophane)]
  参考文献：
  名称：

  Porous copper(I) complexes of 2,11-dithia[3.3]paracyclophane: desorption and adsorption of guest molecules

  摘要：

  Four copper(I) complexes of 2,11-dithia[3.3]paracyclophane (dtpcp), [CuI(dtpcp)] . MeCN (1), [CuBr(dtpcp)] . MeCN (2), [CuCl(dtpcp)] . MeCN (3) and [Cu2I2(dtPCP)(2)] . Me-thf (4) (Me-thf = 2-methyltetrahydrofuran), have been synthesized and their molecular structures determined by X-ray crystallography. Complexes I and 2 are isostructural, and exhibit 31) networks with elliptical channels along a-axis, which are constructed by dtpcp molecules bridging zigzag CuI and CuBr chains, respectively. Complexes 3 and 4 are 21) porous sheet networks constructed by bridging the zigzag copper-dtpcp chains via rhombic ring of Cu2X2 (X = Cl or 1). All sheets in 3 are packed in an eclipsed manner through pi-pi stackings to generate channels along the a-axis. However, the 2D porous sheets in 4 are packed in an offset mode such that channels are not formed along c-axis. Complexes I and 2 can reversibly incorporate guest acetonitriles without collapse of structures, and the original frameworks of I and 2 are completely recovered after incorporation of guests which are confirmed by X-ray powder diffraction (XRPD) pattern and H-1 NMR spectrum. Additionally, complex I exhibits selectivity in size and polarity for guest inclusion. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.03.057
• 作为产物：
  描述：

  [CuBr(2,11-dithia[3.3]paracyclophane)] 、 乙腈 以 乙腈 为溶剂， 生成 [CuBr(2,11-dithia[3.3]paracyclophane)]*MeCN
  参考文献：
  名称：

  Porous copper(I) complexes of 2,11-dithia[3.3]paracyclophane: desorption and adsorption of guest molecules

  摘要：

  Four copper(I) complexes of 2,11-dithia[3.3]paracyclophane (dtpcp), [CuI(dtpcp)] . MeCN (1), [CuBr(dtpcp)] . MeCN (2), [CuCl(dtpcp)] . MeCN (3) and [Cu2I2(dtPCP)(2)] . Me-thf (4) (Me-thf = 2-methyltetrahydrofuran), have been synthesized and their molecular structures determined by X-ray crystallography. Complexes I and 2 are isostructural, and exhibit 31) networks with elliptical channels along a-axis, which are constructed by dtpcp molecules bridging zigzag CuI and CuBr chains, respectively. Complexes 3 and 4 are 21) porous sheet networks constructed by bridging the zigzag copper-dtpcp chains via rhombic ring of Cu2X2 (X = Cl or 1). All sheets in 3 are packed in an eclipsed manner through pi-pi stackings to generate channels along the a-axis. However, the 2D porous sheets in 4 are packed in an offset mode such that channels are not formed along c-axis. Complexes I and 2 can reversibly incorporate guest acetonitriles without collapse of structures, and the original frameworks of I and 2 are completely recovered after incorporation of guests which are confirmed by X-ray powder diffraction (XRPD) pattern and H-1 NMR spectrum. Additionally, complex I exhibits selectivity in size and polarity for guest inclusion. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.03.057

文献信息

• One-, two- and three-dimensional copper(I) and silver(I) complexes of 2,11-dithia[3.3]paracyclophane
  作者：Megumu Munakata、Liang Ping Wu、Takayoshi Kuroda-Sowa、Masahiko Maekawa、Yusaku Suenaga、Sohei Nakagawa

  DOI：10.1039/dt9960001525

  日期：——

  triclinic cell. Complex 2 is a two-dimensional sheet structure in which a large ring containing six copper atoms includes a tetrahydrofuran molecule as guest inside the open cavity. The one-nitrate oxygen bridging two metal centres in complex 3 yields a unique three-dimensional channel framework of silver(I) ions. The iodine-doped black products of compounds 1–3 at room temperature exhibited conductivities

  2,11-二氢噻吩[3.3]对环环烷（dtpcp），[Cu 2 Br 2（dtpcp）（MeCN）2 ] 1，[Cu 2 I 2（dtpcp）2的两个铜（I）和一个银（I）络合物合成了]·thf 2和[Ag（dtpcp）（NO 3）] 3，并通过X射线晶体学确定了它们的分子结构。这三个结构都包含一个无限的网络，该网络包含通过二氢桥联的对环环烷和抗衡阴离子连接的金属阳离子。配合物1和2不是同构的。重复的双核单位[Cu通过1中的dtpcp连接的2 Br 2（dtpcp）（MeCN） 2 ]产生平行于三斜晶系电池的对角轴延伸的一维聚合物链。配合物2是二维片状结构，其中包含六个铜原子的大环包括四氢呋喃分子作为开放腔内部的客体。单硝酸氧桥接两个金属中心在复杂3个产率（的银的独特的三维通道骨架我）离子。化合物的碘掺杂的黑产品1 - 3在室温下表现出导电性为10 -5.9，10 -5.1和10–4.7 S