Literature DB >> 8484923

Structure of ethyl phenyl selenone.

H Hoier1, H L Carrell, J P Glusker, C P Spears.   

Abstract

C8H10O2Se, M(r) = 217.13, monoclinic, P2(1)/n, a = 9.511 (2), b = 15.741 (3) c = 11.467 (2) A, beta = 91.31 (2) degrees, V = 1716.3 (6) A3, Z = 8 (two molecules per asymmetric unit), Dx = 1.68 Mg m-3, lambda (Mo K alpha) = 0.71069 A, mu = 4.19 mm-1, F(000) = 864, T congruent to 295 K, R(obs) = 0.060 for 1944 unique reflections with I > 2 sigma (I). The two molecules in the asymmetric unit are very similar; they differ only in the conformation of the ethyl side chain. There is considerable disorder in one molecule, that possibly can be represented by torsion about the Se-C(ethyl) bond. In each case the O atoms of the SeO2 group lie near the plane of the phenyl group. Se-O ... H-C interactions appear to be the only significant intermolecular interactions. These involve an H atom of the alpha-C atom of the ethyl group in addition to the H atoms of the phenyl group.

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Year:  1993        PMID: 8484923     DOI: 10.1107/s0108270192008230

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  1 in total

1.  Theoretical studies on the tautomerism of tetrazole selenone.

Authors:  Alireza Najafi Chermhini; Mostafa Abedi; Hossein Farrokhpour; Abbas Teimouri; Bahareh Reisi
Journal:  J Mol Model       Date:  2013-08-04       Impact factor: 1.810

  1 in total

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