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2,5-Di-meth-oxy-benzo-nitrile.

ABSTRACT: In the title mol-ecule, C9H9NO2, the non-H atoms are essentially coplanar with a maximum deviation of 0.027?(2)?Å for the C atom of one of the methyl groups. In the crystal, the mol-ecules are arranged into centrosymmetric pairs via pairs of C-H?O and C-H?N inter-actions whereas ?-? stacking inter-actions between the benzene rings [centroid-centroid distance 3.91001?(15)?Å] organize them into polymeric strands propagating along the a-axis direction. There is a step of 0.644?(2)?Å between the two planar parts of the centrosymmetric pair. In neighboring strands related by the n-glide operation, the aromatic rings are tilted by 29.08?(2)°.

SUBMITTER: Bugenhagen B

PROVIDER: S-EPMC3885063 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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2,5-Di-meth-oxy-benzo-nitrile.

Bugenhagen Bernhard B Al Jasem Yosef Y Thiemann Thies T

Acta crystallographica. Section E, Structure reports online 20131123 Pt 12

In the title mol-ecule, C9H9NO2, the non-H atoms are essentially coplanar with a maximum deviation of 0.027 (2) Å for the C atom of one of the methyl groups. In the crystal, the mol-ecules are arranged into centrosymmetric pairs via pairs of C-H⋯O and C-H⋯N inter-actions whereas π-π stacking inter-actions between the benzene rings [centroid-centroid distance 3.91001 (15) Å] organize them into polymeric strands propagating along the a-axis direction. There is a step of 0.644 (2) Å between the two ...[more]

PMID: 24454239

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