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.

    Creators(s): Bhardwaj, Rajni M., Yang, Huaiyu ORCID logoORCID: https://orcid.org/0000-0002-3905-436X and Florence, Alastair J. ORCID logoORCID: https://orcid.org/0000-0002-9706-8364;
    Item type:Article
    ID code:55249
    Keywords: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:05 Aug 2020 07:52
    Related URLs:
    URI:https://strathprints.strath.ac.uk/id/eprint/55249
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