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Optimized LC-MS/MS Method for the High-throughput Analysis of Clinical Samples of Ivacaftor, Its Major Metabolites, and Lumacaftor in Biological Fluids of Cystic Fibrosis Patients
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Cytenamide-formic acid (1/1).

Andrea Johnston, Alastair J Florence, Gary J Miller

    Acta Crystallographica. Section E, Structure Reports Online
    |January 5, 2011
    PubMed
    Summary
    This summary is machine-generated.

    The crystal structure of a dibenzo[a,d]cycloheptatriene derivative reveals specific hydrogen-bonded dimer motifs. These motifs form a larger, centrosymmetric arrangement in the crystal lattice.

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    A Strategy for Sensitive, Large Scale Quantitative Metabolomics
    14:18

    A Strategy for Sensitive, Large Scale Quantitative Metabolomics

    Published on: May 27, 2014

    Area of Science:

    • Crystallography
    • Chemical Structure Analysis
    • Supramolecular Chemistry

    Background:

    • Understanding the crystal packing of organic molecules is crucial for predicting material properties.
    • Dibenzo[a,d]cycloheptatriene derivatives are of interest in medicinal chemistry and materials science.

    Purpose of the Study:

    • To elucidate the crystal structure of 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide-meth-anoic acid (1/1).
    • To analyze the intermolecular interactions and packing motifs in the solid state.

    Main Methods:

    • Single-crystal X-ray diffraction analysis.
    • Analysis of hydrogen bonding and supramolecular assembly.

    Main Results:

    • The crystal structure was determined, revealing the presence of two formula units in the asymmetric unit.
    • A characteristic hydrogen-bonded R(2)(2)(8) dimer motif was observed between the carboxamide and solvent molecules.
    • These dimers further assemble into a centrosymmetric double-motif arrangement.

    Conclusions:

    • The study provides detailed insights into the solid-state structure and intermolecular interactions of the title compound.
    • The observed hydrogen-bonding patterns dictate the supramolecular architecture in the crystal.