hydroxy((oxido((4-(phosphonatomethyl)piperazin-1,4-diium-1-yl)methyl)phosphoryl)oxy)(oxo)vanadium(V) | 166320-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: hydroxy((oxido((4-(phosphonatomethyl)piperazin-1,4-diium-1-yl)methyl)phosphoryl)oxy)(oxo)vanadium(V)
• CAS: 166320-69-0
• 化学式: C₆H₁₆N₂O₈P₂V
• 分子量: 357.091
• InChiKey: ANWACLWQARASFQ-UHFFFAOYSA-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：

  水 、 四氯化钒 、 N,N′-piperazine(bismethylenephosphonic acid) 以 水 为溶剂， 以50%的产率得到hydroxy((oxido((4-(phosphonatomethyl)piperazin-1,4-diium-1-yl)methyl)phosphoryl)oxy)(oxo)vanadium(V)
  参考文献：
  名称：

  Hydrothermal Syntheses and Crystal Structures of Two Oxovanadium-Organodiphosphonate Phases: [H2N(C2H4)2NH2][(VO)2(O3PCH2CH2CH2PO3H)2], a "Stair-Step" Structure Incorporating an Organic Cationic Template, and [(VO)(H2O){O3PCH2NH(C2H4)2NHCH2PO3}], a Layered Structure "Pillared" by a Piperazinium-Tethered Diphosphonate

  摘要：

  Two new members of the oxovanadium-organodiphosphonate system, V-O-R(PO3)(2)(4-), have been synthesized by hydrothermal methods and structurally characterized. The reaction of VCl4, propylenediphosphonic acid, piperazine, and H2O in the mole ratio 1:1.5:3:945 at 200 degrees C and 96 h yields [H2N(C2H4)(2)NH2][(VO)(2)(O3PCH2CH2CH2PO3H)(2)] (1), as green rodlike crystals. The structure consists of ribbons of corner-sharing vanadium square pyramids and phosphorus tetrahedra interconnected by the diphosphonate organic backbone into a stair-step structural motif. The reaction of VCl4, N,N-piperazinebis(methylenephosphonic acid), and H2O in the mole ratio 1:0.8:570 at 125 degrees C for 134 h yields [(VO)(H2O){O3PCH2NH(C2H4)(2)NHCH2PO3}] (2), as light aqua green crystals of cubic habit. The structure of 2 consists of inorganic V/P/O layers linked through the organodiphosphonate backbone into an array of alternating inorganic and organic layers. In contrast to those in 1, the vanadium sites are six-coordinate and the V/P/O layer structure is a defected form of the V-P-O ribbon of 1 with alternate vanadium sites vacant, Compound 1 exhibits magnetic properties consistent with antiferromagnetic coupling of the V(IV) sites, with J/k = -10.3 K as an estimate of the strength of the exchange. Crystal data: C10H26N2O14P4V2 (1), triclinic P (1) over bar, a = 6.244(1) Angstrom, b = 8.687(2) Angstrom, c = 11.156(2) Angstrom, alpha = 88.92(3)degrees, beta = 74.63(3)degrees, gamma = 74.32(3)degrees, V = 560.8(3) Angstrom(3), Z = D-calc = 1,842 g cm(-3), with structure solution and refinement based on 1663 reflections converging at R = 0.0662; C6H12N2O8P2V (2), monoclinic P2(1)/c, a = 7.999(2) Angstrom, b = 8.009(2) Angstrom, c = 9.201(2) Angstrom, beta = 100.24(3)degrees, V = 580.1(3) Angstrom(3), Z = 2, D-calc = 2.021 g cm(-3), 1453 reflections, R = 0.0593.

  DOI：

  10.1021/ic00121a026