In the title monohydrate salt of ambroxol (AMB) with theophylline-7-acetic acid (TAA), C13H19Br2N2O+.-C 9H9N4O4- .H2O, protonation of the secondary amino group of AMB takes place. An N+-H ⋯O- hydrogen bond is established between the protonated N atom and an O atom of the carboxylate anion, the same atom as is involved in an N-H⋯O interaction with the aromatic amino group of the cation. The other O atom of the carboxylate anion participates in an N+-H⋯O- hydrogen bond with a symmetry-related salt molecule, giving rise to a dimeric arrangement. The water molecule is linked to a carbonyl O atom of TAA and the aromatic amino group of AMB, and connects the salt molecules in the crystal at the level of the OH group of AMB.
Ambroxol Theophylline-7-acetate Salt Monohydrate / G. Giuseppetti, F. Mazzi, C. Tadini, F. Giordano, G. Bettinetti, M. Sorrenti, A. Gazzaniga. - In: ACTA CRYSTALLOGRAPHICA. SECTION C, CRYSTAL STRUCTURE COMMUNICATIONS. - ISSN 0108-2701. - C54:3(1998), pp. 407-410. [10.1107/S0108270196009328]
Ambroxol Theophylline-7-acetate Salt Monohydrate
A. GazzanigaUltimo
1998
Abstract
In the title monohydrate salt of ambroxol (AMB) with theophylline-7-acetic acid (TAA), C13H19Br2N2O+.-C 9H9N4O4- .H2O, protonation of the secondary amino group of AMB takes place. An N+-H ⋯O- hydrogen bond is established between the protonated N atom and an O atom of the carboxylate anion, the same atom as is involved in an N-H⋯O interaction with the aromatic amino group of the cation. The other O atom of the carboxylate anion participates in an N+-H⋯O- hydrogen bond with a symmetry-related salt molecule, giving rise to a dimeric arrangement. The water molecule is linked to a carbonyl O atom of TAA and the aromatic amino group of AMB, and connects the salt molecules in the crystal at the level of the OH group of AMB.Pubblicazioni consigliate
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