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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Protonation site and hydrogen bonding in anhydrous and hydrated crystalline forms of doxazosin mesylate from powder data
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Protonation site and hydrogen bonding in anhydrous and hydrated crystalline forms of doxazosin mesylate from powder data

机译：粉末数据中甲磺酸多沙唑嗪的无水和水合结晶形式的质子化位点和氢键

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摘要

The three-dimensional solid-state structures of two modifications of doxazosin mesylate C23H26N5O5+.CH3SO3-, 4-amino-2-[ 4-[(2,3-dihydro-1,4-benzodioxin-2-yl) carbonyl] piperazin-1-yl]- 6,7-dimethoxyquinazoline methanesulfonate, a commonly used antihypertensive agent, have been determined by synchrotron X-ray powder diffraction. An anhydrous form (A) and a dihydrate form (dG) crystallize in monoclinic space groups. In both forms the doxazosin molecule is protonated at the N1 atom of the quinazoline bicycle. The N1 atom, and the amino H atoms and O atoms of the mesylate moieties are involved in three-dimensional hydrogen-bonding networks, while solvent water molecules and carboxamide O atoms are also incorporated in a hydrogen-bonding network in dG. [References: 45]
机译：甲磺酸多沙唑嗪C23H26N5O5 + .CH3SO3-，4-氨基-2- [4-[（（2,3-二氢-1,4-苯并二恶英-2-基）羰基]哌嗪]的两个修饰的三维固态结构已经通过同步加速器X射线粉末衍射法确定了常用的降压药1-基] -6,7-二甲氧基喹唑啉甲磺酸盐。无水形式（A）和二水合物形式（dG）在单斜空间群中结晶。两种形式的多沙唑嗪分子都在喹唑啉自行车的N1原子上质子化。 N1原子，甲磺酸酯基团的氨基H原子和O原子与三维氢键网络有关，而溶剂水分子和羧酰胺O原子也与dG的氢键网络结合在一起。 [参考：45]

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