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A three‐component cocrystal: benzoyl(hydroxyimino)acetonitrile–18‐crown‐6–water (2/1/4)

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In the title compound, 2C9H6N2O2·C12H24O6·4H2O, the 18‐crown‐6 (1,4,7,10,13,16‐hexaoxacyclooctadecane) molecule resides across a centre of inversion. The adduct exists as a molecular hydrogen‐bonded complex featuring integration of two kinds of synthons, viz. [(18‐crown‐6)(H2O)4] [O...O = 2.8645 (18)–2.9014 (18) Å] and an oxime/aqua ensemble, PhC(O)C(CN)NOH...OH2 [O...O = 2.5930 (18) Å]. The reliability of the oxime/aqua motif, sustained by the highly acidic cyanooxime, is an essential factor in the construction of multicomponent cocrystals and the accommodation of oxime species in macrocyclic hosts. The supramolecular structure is generated by the alternation of hydrophilic [(18‐crown‐6)(H2O)4] layers and bilayers of benzoyl(hydroxyimino)acetonitrile molecules, resulting in stacking interactions between the phenyl and cyano groups of 3.666 (2) Å.
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Document Type: Research Article

Affiliations: Inorganic Chemistry Department, National Taras Shevchenko University of Kyiv, Volodimirska Street 64, Kyiv 01033, Ukraine

Publication date: September 15, 2012

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