Protonation site and hydrogen bonding in anhydrous and hydrated crystalline forms of doxazosin mesylate from powder data
| Autor: | Alexandr N. Shmakov, Andrew N. Fitch, Denis Machon, H.-P. Weber, Vladimir V. Chernyshev, Alexandr V. Yatsenko, Sergei A. Zaitsev |
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| Rok vydání: | 2003 |
| Předmět: |
Models
Molecular Bicyclic molecule Hydrogen bond Chemistry Stereochemistry Doxazosin Molecular Conformation Water Protonation Hydrogen Bonding General Medicine Crystal structure General Biochemistry Genetics and Molecular Biology Doxazosin Mesylate Crystallography Polymorphism (materials science) Models Chemical Anhydrous Molecule Protons Crystallization |
| Zdroj: | Acta crystallographica. Section B, Structural science. 59(Pt 6) |
| ISSN: | 0108-7681 |
| Popis: | The three-dimensional solid-state structures of two modifications of doxazosin mesylate C23H26N5O_5^+·CH3SO_3^-, 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 (d G) 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 d G. |
| Databáze: | OpenAIRE |
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