1,4-bis(4,5-dihydro-1H-imidazol-2-yl)benzene dihydrochloride | 61033-89-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4-bis(4,5-dihydro-1H-imidazol-2-yl)benzene dihydrochloride
• 英文别名: 2,2'-(1,4-Phenylene)di(4,5-dihydro-1H-imidazole)--hydrogen chloride (1/1)；2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
• CAS: 61033-89-4
• 化学式: C₁₂H₁₄N₄*2ClH
• 分子量: 287.192
• InChiKey: JFACORDWGILBOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.81
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  48.8
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-bis(4,5-dihydro-1H-imidazol-2-yl)benzene dihydrochloride 、 zinc(II) nitrate 、 吡啶-2,4,6-三羧酸 、 在 sodium hydroxide 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 168.0h， 生成
  参考文献：
  名称：

  Molecular tectonics: from crystals to crystals of crystals

  摘要：

  MII 阳离子（Co、Ni、Cu 或 Zn）与作为配体的 2,4,6-吡啶三羧酸、作为 H 键供体的双脒二阳离子以及 NaOH 原位结合，形成阴离子金属配合物 ML22-，并将它们相互连接成显示不同颜色的同构三维 H 键网络，这些网络被用作预成型籽晶，通过三维外延生长形成晶体。

  DOI：

  10.1039/c3cc45205k

文献信息

• Welding Molecular Crystals
  作者：Cyril R. R. Adolf、Sylvie Ferlay、Nathalie Kyritsakas、Mir Wais Hosseini

  DOI：10.1021/jacs.5b10586

  日期：2015.12.16

  Both for fundamental and applied sciences, the design of complex molecular systems in the crystalline phase with strict control of order and periodicity at both microscopic and macroscopic levels is of prime importance for development of new solid-state materials and devices. The design and fabrication of complex crystalline systems as networks of crystals displaying task-specific properties is a step toward smart materials. Here we report on isostructural and almost isometric molecular crystals of different colors, their use for fabrication of core shell crystals, and their welding by 3D epitaxial growth into networks of crystals as single-crystalline entities. Welding of crystals by self-assembly processes into macroscopic networks of crystals is a powerful strategy for the design of hierarchically organized periodic complex architectures composed of different subdomains displaying targeted characteristics. Crystal welding may be regarded as a first step toward the design of new hierarchically organized complex crystalline systems.
• Molecular tectonics: from crystals to crystals of crystals
  作者：Gabriela Marinescu、Sylvie Ferlay、Nathalie Kyritsakas、Mir Wais Hosseini

  DOI：10.1039/c3cc45205k

  日期：——

  The in situ combination of MII cations (Co, Ni, Cu or Zn) with 2,4,6-pyridinetricarboxylic acid as a ligand, a bisamidinium dication as a H-bond donor tecton and NaOH leads to the formation of anionic metal complexes ML22− and their interconnection into isomorphous 3D H-bonded networks displaying different colours which were used as preformed seed crystals for the formation of crystals of crystals by 3D epitaxial growth.

  MII 阳离子（Co、Ni、Cu 或 Zn）与作为配体的 2,4,6-吡啶三羧酸、作为 H 键供体的双脒二阳离子以及 NaOH 原位结合，形成阴离子金属配合物 ML22-，并将它们相互连接成显示不同颜色的同构三维 H 键网络，这些网络被用作预成型籽晶，通过三维外延生长形成晶体。