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. 2024 Dec 24;9(Pt 12):x241226.
doi: 10.1107/S2414314624012264. eCollection 2024 Dec.

3-Iodo-aniline

Affiliations

3-Iodo-aniline

Ferhan Slamang et al. IUCrdata. .

Abstract

The title compound, C6H6IN, is the meta-iodinated derivative of aniline. The asymmetric unit contains two mol-ecules. The structure was refined as a two-component inversion twin with a volume ratio of 55.6:44.4. In the crystal, cooperative hydrogen bonds of the N-H⋯N type connect the mol-ecules into infinite chains propagating along the a-axis direction. Dispersive I⋯I contacts extend these chains to sheets perpendicular to the crystallographic c axis.

Keywords: crystal structure.

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Figures

Figure 1
Figure 1
The mol­ecular structure of the title compound, with atom labels and anisotropic displacement ellipsoids (drawn at the 50% probability level).
Figure 2
Figure 2
Inter­molecular contacts, viewed along [001].

References

    1. Becker, H. G. O., Berger, W., Domschke, G., Fanghänel, E., Faust, J., Fischer, M., Gentz, F., Gewald, K., Gluch, R., Mayer, R., Müller, K., Pavel, D., Schmidt, H., Schollberg, K., Schwetlick, K., Seiler, E. & Zeppenfeld, G. (2000). Organikum – Organisch-Chemisches Grundpraktikum, 21st ed. Weinheim: Wiley-VCH.
    1. Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl.34, 1555–1573.
    1. Betz, R. (2015). Crystallogr. Rep.60, 1049–1052.
    1. Betz, R. & Gerber, T. (2011). Acta Cryst. E67, o1359. - PMC - PubMed
    1. Betz, R., Gerber, T. & Hosten, E. (2011a). Acta Cryst. E67, o2118. - PMC - PubMed

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