Manjunatha, N. K. published the artcileSolid state and Computational studies of Ambroxol hydrochloride drug, COA of Formula: C13H19Br2ClN2O, the publication is Chemical Data Collections (2020), 100377, database is CAplus.
The title compound Ambroxol hydrochloride salt or 4-[(2-amino-3, 5-dibromophenyl) Me amino] cyclohexan-1-olhydrochloride (A) have been crystallized, characterized using FT-IR and confirmed by single crystal X-ray diffraction method. In addition, the intercontacts in the crystal structure are analyzed using Hirshfeld surfaces computational method. The A crystallizes in a monoclinic crystal system (space group C2/c) with cell parameters a = 25.1946(14) Å, b = 15.5139(9) Å, c = 8.1636(5) Å, β = 94.664(6)°, V = 3180.3(3) Å3 and Z = 8. An intermol. interaction of the type O-H… O, N-H… Cl, C-H… Br, C-H… Cg and C-Br… Cg stabilizes the crystal structure. The intercontacts in the crystal structures are visualized using 2D finger print plots. The electrostatic potential surfaces and topol. surfaces (shape index (S) and curvedness (C)) are plotted over the Hirshfeld surfaces to identify the potentials (pos. and neg.) and mol. surface topol., resp. Intercontacts are evaluated for the propensity of forming contacts in the crystal packing by enrichment ration (E) values. The presence of C-Br… Br-C intermol. interactions are confirmed using E values and is categorized as Type I halogen…halogen intermol. interactions.
Chemical Data Collections published new progress about 23828-92-4. 23828-92-4 belongs to alcohols-buliding-blocks, auxiliary class Membrane Transporter/Ion Channel,Sodium Channel, name is trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride, and the molecular formula is C13H19Br2ClN2O, COA of Formula: C13H19Br2ClN2O.
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