Structural investigation on hexasubstituted benzene derivatives. Part 2: The structure of metadinitrotetramethylbenzene and molecular mechanics analysis on meta and ortho derivatives |
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| Authors: | Ori Ottorino Sgarabotto Paolo Ugozzoli Franco Sorriso Salvatore |
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| Affiliation: | (1) Istituto di Strutturistica Chimica, Universitá degli Studi di Parma, Centra di Studio per la Strutturistica Diffrattometrica del C.N.R., Viale delle Scienze, I-43100 Parma, Italy;(2) Dipartimento di Chimica, Universitá di Perugia, I-06100 Perugia, Italy |
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| Abstract: | C10H12N2O4 (Mr=224.2) crystallizes in the monoclinic system, space groupP21/mwitha=15.462(4),b=7.926(3),c=8.972(3) Å; =90.2(1)°;V=1099.5(6) Å3;Z=4;Dc=1.35 gcm–3; (Cu-K )=8.6 cm–1;  =1.5418 Å;F(000)=472. The position of the molecule on a crystallographic mirror plane forces the NO2 plane to be normal to the benzene ring. The -electron-withdrawing character of the NO2 groups induces a deformation on the geometry of the benzene. |
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