Optimization of interactions in crystal packing revealed by crystal structures [ethyl 2-(formylamino)-3-thien-2-yl-2-(thien-2-ylmethyl)propanoate and ethyl 3-(5-bromothien-2-yl)-2-[(5-bromothien-2-yl)methyl]-2-(formylamino)propanoate]
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Title |
Optimization of interactions in crystal packing revealed by crystal structures [ethyl 2-(formylamino)-3-thien-2-yl-2-(thien-2-ylmethyl)propanoate and ethyl 3-(5-bromothien-2-yl)-2-[(5-bromothien-2-yl)methyl]-2-(formylamino)propanoate]
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Creator |
DAMODHARAN, LAKSHMINARASIMHAN
PATTABHI, VASANTHA BEHERA, MANORANJAN KOTHA, SAMBASIVARAO |
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Subject |
crystal structure
organic compounds hydrogen bonds |
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Description |
The title compounds, C15H14NO3S2 (I) and C15H15Br2NO3S2 (II), are derivatives of Aib (α-aminoisobutyric acid) with thiophene rings substituted at the Cα position. The Cα substitution causes the backbone to assume an extended conformation in the crystal structure. N–H and C–H donors share the thiophene ring π system for X–H...π interactions. The packings of the molecules are stabilized by intermolecular N–H...O, C–H...O, C–H...π and C–H...Br hydrogen bonds. Br...O interactions and a weak dihydrogen bond have also been observed in the crystal structure of II. The packing adopted by II has maximized the number of interactions that are possible.
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Publisher |
Elsevier
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Date |
2009-02-24T12:18:59Z
2011-11-25T17:44:02Z 2011-12-26T13:06:18Z 2011-12-27T05:54:06Z 2009-02-24T12:18:59Z 2011-11-25T17:44:02Z 2011-12-26T13:06:18Z 2011-12-27T05:54:06Z 2004 |
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Type |
Article
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Identifier |
Journal of Molecular Structure 705(1-3), 101-106
0022-2860 http://dx.doi.org/10.1016/j.molstruc.2004.06.021 http://hdl.handle.net/10054/764 http://dspace.library.iitb.ac.in/xmlui/handle/10054/764 |
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Language |
en
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