trans-[chromium(III)(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)dinitrito]nitrate * 1 water | 284467-15-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: trans-[chromium(III)(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)dinitrito]nitrate * 1 water
• CAS: 284467-15-8
• 化学式: C₁₆H₃₆CrN₆O₄*H₂O*NO₃
• 分子量: 508.516
• InChiKey: REVYXIVGRQHGJS-KNIYNWIBSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  trans-[chromium(III)(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)dinitrito]nitrate 、 水 在 NaNO₂ 作用下， 以 水 为溶剂， 以79.4%的产率得到trans-[chromium(III)(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)dinitrito]nitrate * 1 water
  参考文献：
  名称：

  The synthesis, characterization and structures of the chromium(III) dinitrito complexes: trans-[Cr(L)(ONO)2]+ (L=1,4,8,11-tetraazacyclotetradecane or 5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)

  摘要：

  Described are the syntheses plus the spectroscopic and structural characterizations of the chromium(III) complexes trans-[Cr(cyclam)(ONO)(2)](BF4) (1) (cyclam = 1,4, 8,11-tetraazacyclotetradecane) and [Cr(tetA)(ONO)(2)](NO3). H2O (2) (tetA = 5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane). The optical absorption spectra of these are dominated by a spin allowed ligand field band at 476 and 480, respectively, and by a nitrite ligand localized n-->pi* band at 336 and 344 nm, respectively. The crystalline phases of both materials consist of Cr(III) complex ions situated at unit cell edge and face centers that correspond to the crystallographic inversion centers. For 1 the charge balancing BF4- anions are orientationally disordered and are positioned in the cavities formed by the complexes. For 2, the nitrate anion and water molecule forms pairs through the O-H...O type hydrogen bond and each pair has two statistical orientations. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00027-x