Crystal structure of the co-crystal butyl­paraben–isonicotinamide (1/1)

Acta Crystallographica Section E: Crystallographic Communications

Bhardwaj, R.M.¹  Yang, H.¹  Florence, A.J.¹ 

[1] Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161 Cathedral Street, Glasgow G4 0RE, Scotland

关键词: CRYSTAL STRUCTURE;    BUTYLPARABEN;    ISONICOTINAMIDE;    CO-CRYSTAL;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015023518

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title 1:1 co-crystal, C11H14O3·C6H6N2O [systematic name: butyl 4-hy­droxy­benzoate–isonicotinamide (1/1)], crystallizes with one mol­ecule of butyl­paraben (BPN) and one mol­ecule of isonicotinamide (ISN) in the asymmetric unit. In the crystal, BPN and ISN mol­ecules form hydrogen-bonded (O—H⋯N and N—H⋯O) dimers of paired BPN and ISN mol­ecules. These dimers are further connected to each other via N—H⋯O=C hydrogen bonds, creating ribbons in [011] which further stack along the a axis to form a layered structure with short C⋯C contacts of 3.285 (3) Å. Packing inter­actions within the crystal structure were assessed using PIXEL calculations.

【 授权许可】

CC BY