C-H··· O hydrogen bond patterns in crystalline nitro compounds: studies in solid-state molecular recognition

Krishnamohan Sharma, C. V. ; Desiraju, Gautam R. (1994) C-H··· O hydrogen bond patterns in crystalline nitro compounds: studies in solid-state molecular recognition Journal of the Chemical Society. Perkin transactions 2 . pp. 2345-2352. ISSN 0300-9580

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Official URL: http://www.rsc.org/publishing/journals/P2/article....

Related URL: http://dx.doi.org/10.1039/P29940002345

Abstract

Several C-H···O hydrogen bond patterns (I-V) have been studied in the crystal structures of organic nitro compounds. It is shown that NO2 and NMe2 groups have complementary functionalities in C-H··· O mediated molecular recognition in the solid state (pattern I). The role of co-operativity in stabilising these weakly hydrogen bonded networks has been studied computationally by examining aggregates of the prototype molecule N,N-dimethylnitroamine. Other geometrically characteristic C-H··· O patterns (II-V) are found commonly in these crystal structures especially among nitroalkenes and nitroaromatics and such patterns are expected to be of utility in supramolecular assembly.

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ID Code:10759
Deposited On:09 Nov 2010 04:59
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