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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]
 
Creator DAMODHARAN, LAKSHMINARASIMHAN
PATTABHI, VASANTHA
BEHERA, MANORANJAN
KOTHA, SAMBASIVARAO
 
Subject crystal structure
organic compounds
hydrogen bonds
 
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.
 
Publisher Elsevier
 
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
 
Type Article
 
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
 
Language en