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. 2010 May 12;66(Pt 6):o1324-5.
doi: 10.1107/S1600536810015709.

4-[(2E)-2-(4-Chloro-benzyl-idene)hydrazinyl-idene]-1-methyl-1,4-dihydro-pyridine monohydrate

Abdullah Aydın, Mehmet Akkurt, Vildan Alptüzün, Orhan Büyükgüngör, Ulrike Holzgrabe, Krzysztof Radacki

4-[(2E)-2-(4-Chloro-benzyl-idene)hydrazinyl-idene]-1-methyl-1,4-dihydro-pyridine monohydrate

Abdullah Aydın et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(13)H(12)ClN(3)·H(2)O, the organic mol-ecule is almost planar, with a dihedral angle of 3.22 (10)° between the benzene and pyridine rings. The crystal structure is stabilized by O-H⋯N and C-H⋯O hydrogen bonding and π-π stacking inter-actions [centroid-centroid distances = 3.630 (1) and 3.701 (1) Å].

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Figures

Fig. 1.
Fig. 1.
An ORTEP View of the title molecule with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 50% probability level.
Fig. 2.
Fig. 2.
The packing and hydrogen bonding interactions of (I) down the a-axis. H atoms not participating in hydrogen bonding have been omitted for clarity.
Fig. 3.
Fig. 3.
The spatial view of the title molecule (I), calculated by the CNDO aproximation.
See this image and copyright information in PMC

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References

    1. Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1–19.
    1. Alptüzün, V., Prinz, M., Hörr, V., Scheiber, J., Radacki, K., Fallarero, A., Vuorela, P., Engels, B., Braunschweig, H., Erciyas, E. & Holzgrabe, U. (2010). Bioorg. Med. Chem.18, 2049–2059. - PubMed
    1. Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst.32, 115–119.
    1. Diao, Y.-P., Huang, S.-S., Kong, Y., Xia, M.-Y. & Meng, D.-L. (2008). Z. Kristallogr. New Cryst. Struct.223, 285–286.
    1. Douglas, W. A., Fishinger, J. J., Gund, P., Haris, E. E., Olson, G., Patchett, A. A. & Ruyle, V. W. (1977). J. Med. Chem.20, 939–943. - PubMed