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Crystal structure of 6-eth-oxy-pyridin-1-ium-2-olate.

ABSTRACT: In the title compound, C7H9NO2, all non-H atoms are essentially coplanar [r.m.s. deviation = 0.032?Å]. The largest deviation from the plane of the pyridine ring is 0.105?(6)?Å for the terminal C atom of the eth-oxy group. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers. These dimers are further linked by C-H?? inter-actions and weak ?-? inter-actions between pyridine rings [centroid-centroid distance = 4.023?(1)?Å].

SUBMITTER: Luo K

PROVIDER: S-EPMC4257288 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 6-eth-oxy-pyridin-1-ium-2-olate.

Luo Kaijun K Guo Qing Q Wang Yan Y Luo Daibing D

Acta crystallographica. Section E, Structure reports online 20141004 Pt 11

In the title compound, C7H9NO2, all non-H atoms are essentially coplanar [r.m.s. deviation = 0.032 Å]. The largest deviation from the plane of the pyridine ring is 0.105 (6) Å for the terminal C atom of the eth-oxy group. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers. These dimers are further linked by C-H⋯π inter-actions and weak π-π inter-actions between pyridine rings [centroid-centroid distance = 4.023 (1) Å]. ...[more]

PMID: 25484792

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