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Search query: supramolecular order

1650 articles match your search "supramolecular order"

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Robustness of supramolecular synthons in the lamotrigine solvates and hydrate has been investigated in order to be applied for the lamotrigine cocrystals design.

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An algorithmic strategy to design stoichiometric quaternary and solid-solution quinary solids is described. The strategy involves recognition of structural inequivalences to generate ternary and quaternary cocrystals which can then be extended to five-component solid solutions through matching of suitable interactions.

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The FeIIIS2N2O2 chromophore of ammonium bis­[salicyl­aldehyde thio­semi­car­ba­zon­ato(2−)]iron(III) contains two O,N,S-donating salicyl­aldehyde thio­semi­car­ba­zon­ate(2−) ligands in perpendicular planes, with the O and S atoms in cis and the N atoms in trans positions. The FeIII ion is in the low-spin state at 100 K. Systematic twinning by metric pseudomerohedry is explained by application of the order–disorder (OD) theory.

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The novel supramolecular host–guest architectures of cocrystallized 18-crown-6 with isophthalic derivatives, 18-crown-6·6(5-hy­droxy­isophthalic acid)·10(H2O) and 18-crown-6·2(trimesic acid)·2(H2O), mainly stabilized by O—H...O hydrogen bonding and π...π interactions, have been described. Intra- and intermolecular interactions are analyzed and quantified by Hirshfeld surfaces derived from single crystal XRD data.

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Two new substituted propane­dioate esters have been synthesized using a three-component solvent-free thermal reaction. The products, which are isomorphous, differ only in the presence of a bromo­phenyl group in one, where the mol­ecules are fully ordered, as compared with a chloro­phenyl group in the other, where the mol­ecules exhibit two types of disorder.

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The structures of three distinct forms (cocrystal, salt and a hybrid cocrystal of salt) of multicomponent crystals of imidazole-based drugs (metronidazole, ketoconazole and miconazole) with tri­thio­cyanuric acid as coformer are characterized. Their supramolecular architectures reflect the interplay between different molecular species.

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The structures of three 1:1 cocrystal forms of etoricoxib (ETR) with benzoic acid, 4-fluoro­benzoic acid and 4-nitro­benzoic acid were characterized by X-ray diffraction (single crystal and powder) and thermal differential scanning calorimetry–thermogravimetry techniques. Due to the influence of the different acids, ETR shows different conformations.

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In the crystal structures of the formamide monosolvate (1a) and the n-propanol/water solvate/hydrate (1b), the host mol­ecules adopt similar geometries with an alternating arrangement of the substituents above and below the plane of the central arene ring.

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The possibility of converting crystal engineering principles that originate in the organic solid state into productive strategies for the effective supramolecular assembly of coordination complexes has been established through a range of complementary techniques. Calculated molecular electrostatic potentials, in conjunction with a systematic structural study, demonstrate that the existence and structural importance of the key hydrogen-bond interactions are not disrupted by the presence of metal cations and charge-balancing anions.

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Supramolecular interactions in the solid state are discussed in the context of crystal engineering. Specific topics include halogen bonding, ambient and non-ambient conditions, isostructurality and polymorphism, and kinetic assembly of coordination polymers.
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