Packing analysis and the crystal chemistry of 2,5-dibenzylidenecyclopent-3-ene-1-one. Rationale for a non-topochemical solid-state reaction |
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| Authors: | Jagarlapudi A. R. P. Sarma Joel Bernstein |
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| Affiliation: | (1) Inorganic and Physical Chemistry Division, Indian Institute of Technology, 500 007 Hyderabad, India;(2) Department of Chemistry, Ben-Gurion University of the Negev, 84105 Beer Sheva, Israel |
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| Abstract: | The molecular and crystal structure of 2,5-dibenzylidenecyclopent-3-ene-1-one has been studied in detail to explain the formation of a non-topochemical pseudo-mirror-symmetric dimer upon photoirradiation. Packing energy calculations, analysis of the thermal motion, and lattice energy calculations are employed to analyse and understand the observed dimerization reaction, crystal structure, and crystal properties.Supplementary data relating to this article have been deposited with the British Library as Supplementary Publication No. SUP 82137 (6 pages). |
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| Keywords: | Non-topochemical reaction crystal structure lattice energy calculations thermal motion analysis disorder |
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