Crystal structure of the co-crystal butylparaben– isonicotinamide (1/1)
Bhardwaj, Rajni M. and Yang, Huaiyu and Florence, Alastair J. (2016) Crystal structure of the co-crystal butylparaben– isonicotinamide (1/1). Acta Crystallographica Section E: Structure Reports, E72 (1). pp. 53-55. ISSN 1600-5368
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Abstract
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.
ORCID iDs
Bhardwaj, Rajni M., Yang, Huaiyu

Item type: Article ID code: 55249 Dates: DateEvent1 January 2016Published7 December 2015AcceptedKeywords: crystal structure, butylparaben, isonicotinamide, co-crystal, hydrogen bonding, Chemistry, Materials Science(all), Chemistry(all), Condensed Matter Physics Subjects: Science > Chemistry Department: Faculty of Science > Strathclyde Institute of Pharmacy and Biomedical Sciences
Technology and Innovation Centre > Continuous Manufacturing and Crystallisation (CMAC)Depositing user: Pure Administrator Date deposited: 06 Jan 2016 10:22 Last modified: 10 Mar 2021 02:10 Related URLs: URI: https://strathprints.strath.ac.uk/id/eprint/55249