2-羟基-3-碘-5-硝基苯甲醛中的三维聚集，涉及C-H...O、碘-硝基和芳香π-π堆积相互作用，以及无序的2,4-二碘-6-硝基苯甲醚中的孤立二聚体。
Three-dimensional aggregation in 2-hydroxy-3-iodo-5-nitrobenzaldehyde involving C-H...O, iodo-nitro and aromatic pi-pi stacking interactions, and isolated dimers in disordered 2,4-diiodo-6-nitroanisole.
作者信息
Garden Simon J, da Cunha Fernando R, Glidewell Christopher, Low John N, Skakle Janet M S, Wardell James L
机构信息
Departmento de Química Orgânica, Instituto de Química, Uiversidade Federal do Rio de Janeiro, RJ, Brazil.
出版信息
Acta Crystallogr C. 2004 Jan;60(Pt 1):o12-4. doi: 10.1107/s0108270103025654. Epub 2003 Dec 6.
In 2-hydroxy-3-iodo-5-nitrobenzaldehyde, C(7)H(4)INO(4), the molecules are linked into sheets by a combination of C-H.O hydrogen bonds and two-centre iodo-nitro interactions, and these sheets are linked by aromatic pi-pi stacking interactions. Molecules of 2,4-diiodo-6-nitroanisole, C(7)H(5)I(2)NO(3), are disordered, with the nitro group and one of the I substituents each occupying common sets of sites with 0.5 occupancy. The molecules are linked into isolated centrosymmetric dimeric units by a single iodo-nitro interaction.
在2-羟基-3-碘-5-硝基苯甲醛（C₇H₄INO₄）中，分子通过C-H…O氢键和双中心碘-硝基相互作用结合成层，并且这些层通过芳香π-π堆积相互作用相连。2,4-二碘-6-硝基苯甲醚（C₇H₅I₂NO₃）的分子是无序的，硝基和其中一个碘取代基各自占据占有率为0.5的公共位点集。分子通过单一的碘-硝基相互作用连接成孤立的中心对称二聚体单元。
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