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Two pseudopolymorphic hydrates of brucine: brucine–water (1/4) and brucine–water (1/5.25) at 130 K
Authors:Graham Smith  Urs D Wermuth  Peter C Healy  Jonathan M White
Abstract:The structures of two pseudopolymorphic hydrates of brucine, C23H26N2O4·4H2O, (I), and C23H26N2O4·5.25H2O, (II), have been determined at 130 K. In both (I) and (II) (which has two independent brucine mol­ecules together with 10.5 water mol­ecules of solvation in the asymmetric unit), the brucine mol­ecules form head‐to‐tail sheet substructures, which associate with the water mol­ecules in the inter­stitial cavities through hydrogen‐bonding associations and, together with water–water associations, give three‐dimensional framework structures.
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