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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Arderne, Charmaine Olivier, Denise K. Ndinteh, Derek T. |
| Description | Country affiliation: South Africa Author Affiliation: Arderne C ( Department of Chemistry, University of Johannesburg, PO Box 524, Auckland Park, Johannesburg 2006, South Africa.); Olivier DK ( Department of Applied Chemistry, University of Johannesburg, PO Box 524, Auckland Park, Johannesburg 2006, South Africa.); Ndinteh DT ( Department of Applied Chemistry, University of Johannesburg, PO Box 524, Auckland Park, Johannesburg 2006, South Africa.) |
| Abstract | The 100â K structures of two salts, namely 2-amino-1H-benzimidazolium 3-phenylpropynoate, C7H8N3(+)·C9H5O2(-), (I), and 2-amino-1H-benzimidazolium oct-2-ynoate, C7H8N3(+)·C8H11O2(-), (II), both have monoclinic symmetry (space group P21/c) and display N-H...O hydrogen bonding. Both structures show packing with corrugated sheets of hydrogen-bonded molecules lying parallel to the [001] direction. Two hydrogen-bonded ring motifs can be identified and described with graph sets R(2)(2)(8) and R(4)(4)(16), respectively, in both (I) and (II). Computational chemistry calculations performed on both compounds show that the hydrogen-bonded ion pairs are more energetically favourable in the crystal structure than their hydrogen-bonded neutral molecule counterparts. |
| File Format | HTM / HTML |
| Issue Number | Pt 2 |
| Volume Number | 71 |
| e-ISSN | 20532296 |
| Journal | Acta Crystallographica Section C Structural Chemistry |
| Language | English |
| Publisher | IUCr |
| Publisher Date | 2015-02-01 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Discipline Crystallography Discipline Analytical Chemistry Benzimidazoles Chemistry Crystallography, X-ray Computers, Molecular Hydrogen Bonding Molecular Structure Protons Salts Journal Article Research Support, Non-u.s. Gov't |
| Content Type | Text |
| Resource Type | Article |
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