Solvent effects on the crystallization and preferential nucleation of carbamazepine anhydrous polymorphs: A molecular recognition perspective
Solvent effects on the crystallization and preferential nucleation of carbamazepine anhydrous polymorphs: A molecular recognition perspective
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DOI：
10.1021/op900133z
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发表时间：
2009-10
影响因子：
3.4
通讯作者：
R. Kelly;N. Rodríguez-Hornedo
中科院分区：
文献类型：
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作者：
R. Kelly;N. Rodríguez-Hornedo
该贡献报告了分子识别事件和溶解度对卡马西平 (CBZ) 多晶型物从有机溶剂中结晶的影响。根据氢键潜力选择溶剂。进行实验是为了 (1) 测量溶解度和诱导时间，(2) 监测溶液浓度和固相成分，以及 (3) 确定溶剂和 CBZ 分子之间的分子间相互作用。原始单斜晶CBZ(M)和三方晶CBZ(Trg)无水卡马西平多晶型物很容易从有机溶剂中结晶。 CBZ(Trg) 是 25 °C 的亚稳态形式，溶解度约为 CBZ(M) 的 1.2 倍。结果表明，CBZ 多晶型物的相对成核速率取决于溶剂的氢键性质，而不取决于溶解度。主要接受氢键（供体与受体之比 (d/a) = 0）的溶剂优先结晶 CBZ(Trg)，而接受和提供氢键的溶剂...
This contribution reports the effects of molecular recognition events and solubility on the crystallization of carbamazepine (CBZ) polymorphs from organic solvents. Solvents were chosen on the basis of their hydrogen-bonding potential. Experiments were conducted to (1) measure solubilities and induction times, (2) monitor solution concentrations and solid phase compositions, and (3) identify intermolecular interactions between solvents and CBZ molecules. Primitive monoclinic, CBZ(M), and trigonal, CBZ(Trg), carbamazepine anhydrous polymorphs readily crystallized from the organic solvents. CBZ(Trg) is the metastable form at 25 °C with a solubility approximately 1.2 times that of CBZ(M). Results show that relative nucleation rates of CBZ polymorphs are dependent on the hydrogen-bonding nature of the solvent and are not dependent on solubility. Solvents that primarily accept hydrogen bonds (donor-to-acceptor ratio (d/a) = 0) preferentially crystallized CBZ(Trg), whereas solvents that accept and donate hydrog...