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Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)
The title 1:1 co-crystal, C(11)H(14)O(3)·C(6)H(6)N(2)O [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-bo...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4704755/ https://www.ncbi.nlm.nih.gov/pubmed/26870584 http://dx.doi.org/10.1107/S2056989015023518 |
Sumario: | The title 1:1 co-crystal, C(11)H(14)O(3)·C(6)H(6)N(2)O [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. |
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