Structural and thermal characterization of sodium ibandronate monohydrate
Structural and thermal characterization of sodium ibandronate monohydrate
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一水伊班膦酸钠的结构和热表征
DOI：
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发表时间：
2012
影响因子：
4.4
通讯作者：
G. Ventimiglia
中科院分区：
文献类型：
--
作者：
L. Malpezzi;E. Maccaroni;G. Carcano;G. Ventimiglia
伊班膦酸钠（NaIb）属于含氮双膦酸盐类药物，作为抗骨吸收药物用于治疗骨质疏松症。观察到NaIb一水合物的结晶形式根据其吸湿性和晶格中水分子的排列进行可逆的热脱水和再水化。观察到脱水和再水化，并通过基于DSC图和TG分析的变温X射线衍射确认，所述DSC图和TG分析显示，通过将样品从40 ° C加热至200 °C，对应于水分子损失的5%重量损失。水分损失导致相变为更致密的相，如果将其留在潮湿环境中，则可以再水合。用X-射线单晶衍射分析对NaIb一水合物的固态结构进行了表征。NaIb的晶体结构为一水合物，属于三斜晶系，空间群P-1，Z = 2，a = 5.973（1）<$，B = 9.193（1）<$，c = 14.830（2）<$，α = 98.22（1）°，β = 98.97（1）°，γ = 93.74（1）°，V = 792.9（2）<$3。每个阴离子基团都以两性离子的形式存在，总电荷为-1。在晶体堆积中，围绕Na阳离子的八面体配位决定了向[100]方向延伸的中心对称双链结构。水分子位于链间空腔内。
Sodium Ibandronate (NaIb) belongs to the nitrogen-containing bisphosphonates drugs, used as anti-resorptive medications for the treatment of osteoporosis. The crystalline form of NaIb monohydrate was observed to undergo reversible thermal dehydration and rehydration, according to its hygroscopic nature and to the arrangement of the water molecules in the crystal lattice. Dehydration and rehydration were observed and confirmed by variable temperature X-ray diffraction on the basis of the DSC pattern and TG analysis that shows, by heating the sample from 40 to 200 °C, a loss of 5% weight corresponding to a water molecule loss. The water loss causes a phase transition to a more dense phase that can be rehydrated if it is left in a humid environment. The solid state characterization of NaIb monohydrate has been performed by X-ray single crystal diffraction analysis. The NaIb crystallizes as monohydrate salt in the triclinic system, space group P-1, with Z = 2, a = 5.973(1) Å, b = 9.193(1) Å, c = 14.830(2) Å, α = 98.22(1)°, β = 98.97(1)°, γ = 93.74(1)°, V = 792.9(2) Å3. Each anionic group exist as zwitterionic entity with a total charge of −1. In the crystal packing, the octahedral coordination around the Na cations determines a centrosymmetric double chains structure elongated into the [100] direction. The water molecules are located inside the inter-chains cavities.
影响因子：
7.3
作者：
Martin, MB;Grimley, JS;Oldfield, E
通讯作者：
Oldfield, E