Crystal structure of 6-ethoxypyridin-1-ium-2-olate

Acta Crystallographica Section E

Daibing Luo¹  Kaijun Luo²  Yan Wang²  Qing Guo² 

[1] Analytical and Testing Center, Sichuan University, Chengdu, Sichuan 610065, People's Republic of China;College of Chemistry and Materials Science, Sichuan Normal University, Chengdu, Sichuan 610068, People's Republic of China;

关键词: crystal structure;    6-ethoxypyridin-1-ium-2-olate;    zwitterion;    hydrogen bonding;    C—H...π interactions;   

DOI  :  10.1107/S1600536814020224

来源: DOAJ

【 摘 要 】

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 ethoxy group. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers. These dimers are further linked by C—H...π interactions and weak π–π interactions between pyridine rings [centroid–centroid distance = 4.023 (1) Å].

【 授权许可】

Unknown