Padmanabhan, Kaillathe ; Venkatesan, Kailasam ; Ramamurthy, Vaidyanathan ; Schmidt, Rolf ; Döpp, Dietrich (1987) Structure-reactivity correlation of photochemical reactions in organic crystals: intramolecular hydrogen abstraction in an aromatic nitro compound Journal of Chemical Society, Perkin Transactions 2, 2 (9). pp. 1153-1158. ISSN 0300-9580
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Official URL: http://pubs.rsc.org/en/Content/ArticleLanding/1987...
Related URL: http://dx.doi.org/10.1039/P29870001153
Abstract
The molecular structure of 1,4-bis-(2-chloro-1,1-dimethylethyl)-2-nitrobenzene has been determined by X-ray crystallography. The single-crystal X-ray investigation, R=0.067, showed the compound to be monoclinic, space group P21, a=6.388(2), b=13.848(4), c=8.578(3)Å, β=94.05(3)°. Structural analysis of 2-nitro-t-butylbenzenes which undergo intramolecular hydrogen abstraction in the solid state upon irradiation by u.v. light was carried out in connection with structure-reactivity correlation studies and X-ray crystallographic investigations. On the basis of intramolecular geometry and molecular packing considerations, it has been possible to identify the hydrogen atom abstracted preferentially in crystals of this compound. The benzene ring is found to exist in the boat conformation.
Item Type: | Article |
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Source: | Copyright of this article belongs to Royal Society of Chemistry. |
ID Code: | 66603 |
Deposited On: | 27 Oct 2011 04:12 |
Last Modified: | 27 Oct 2011 04:12 |
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