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The crystal and molecular structure of bromhexine·HCl

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Abstract

The crystals of bromhexine-HCl, C14H21 N2Br2Cl, are orthorhombic, space group Pca21 with a=14.598(2)Å, b=12.461(3)Å, c=9.186(1)Å and Z=4. Intensity data for 967 reflections (Fobs>6σ(F)) were collected on a Rigaku-Denki automatic fourcircle diffractometer. The structure was solved by the Patterson and Fourier methods. Refinements were carried out to the final R value of 0.082. The cyclo-hexane ring has a normal chair form and the benzene ring is planar. There are three independent hydrogen bonds in the structure. One is an intermolecular hydrogen bond (N-H…Cl−) and the others are intramolecular hydrogen bonds (N-H…Br, N+-H…Cl−). Apart from the hydrogen bonding system the molecules are held together in the crystal by van der Waals force.

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Authors and Affiliations

  1. College of Natural Science, Seoul National University, 151, Seoul, Korea

    Chung Hoe Kong, Yong Je Jung & Soon Won Lee

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  1. Chung Hoe Kong
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  2. Yong Je Jung
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  3. Soon Won Lee
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Kong, C.H., Jung, Y.J. & Lee, S.W. The crystal and molecular structure of bromhexine·HCl. Arch. Pharm. Res. 7, 115–120 (1984). https://doi.org/10.1007/BF02856623

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  • DOI: https://doi.org/10.1007/BF02856623

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