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- W2288729790 abstract "Hirshfeld surfaces (HS) and two-dimensional fingerprint plots are used to analyze the intermolecular interactions in indapamide and other popular thiazide diuretic derivatives. The crystal structure of indapamide (INDP) at 100 K determined by single-crystal X-ray analysis, is also reported. The title compound crystallizes in the centrosymmetric I2/a space group with one indapamide and half water molecule (lying on the glide plane) in the asymmetric unit. An interplay of N–H⋯O hydrogen bonds connects the indapamide molecules generating chains with the graph-set motifs: C (8) and C23 (16), and together with C–H⋯O and π⋯π stacking interactions create a 3D net. The Hirshfeld surface study facilitates comparison of diverse and numerous intercontacts, such as H⋯H, O⋯H, Cl⋯H, C⋯C (π⋯π), C⋯O (π⋯lone pair), O⋯O (lone pair⋯lone pair), Cl⋯O, Cl⋯Cl, N⋯N, C⋯H (C–H⋯π) with regard to building self-assembled framework of indapamide and related thiazide derivatives retrieved from the Cambridge Structural Database. The HS analysis highlights that H⋯H, O⋯H/H⋯O and C⋯H/H⋯C contacts play an influential role contributing to about 80% of the HS areas in this class of compounds. Nevertheless, in the case of INDP the H⋯H interactions, while in hydrochlorothiazide (HCTZ) O⋯H/H⋯O are dominant amongst all intercontacts towards the HS. Notably, indapamide has the highest proportion of C⋯C contacts." @default.
- W2288729790 created "2016-06-24" @default.
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- W2288729790 date "2016-07-01" @default.
- W2288729790 modified "2023-09-28" @default.
- W2288729790 title "Quantifying intermolecular interactions in solid state indapamide and other popular diuretic drugs: Insights from Hirshfeld surface study" @default.
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- W2288729790 doi "https://doi.org/10.1016/j.molstruc.2016.03.006" @default.
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