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  • crystal structurechromonehydrogen bondingstacking interaction  (1)
  • crystal structureπ–π stackinghydrogen bondhalogen bond  (1)
  • International Union of Crystallography (IUC)  (2)
  • American Physical Society
  • 1
    facet.materialart.
    Unknown
    Crystal structure of 4-oxo-4H-chromene-3-carboxylic acid (2015)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2015-07-18
    Description: In the title compound, C10H6O4, also known as 3-carboxychromone, the non-H atoms of the chromone ring are essentially coplanar (r.m.s. deviation = 0.0057 Å), with the maximum deviation from their least-squares plane [0.011 (2) Å] being for a pyran C atom. The dihedral angle between the fused ring and plane of the carboxy group is 3.06 (2)°. An intramolecular hydrogen bond is formed between the ring carbonyl O atom and the carboxy O—H atom, closing an S(6) loop. In the crystal, molecules are assembled by stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.844 (3) Å] and C—H...O hydrogen bonds, generating a three-dimensional network. Short contacts are also observed between the carboxy O and C atoms [C=O...C=O = 3.002 (3) Å].
    Keywords: crystal structurechromonehydrogen bondingstacking interaction
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 2
    facet.materialart.
    Unknown
    Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde (2016)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2016-11-05
    Description: In the title compound, C10H5IO3, an iodinated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0344 Å), with the largest deviation from the least-squares plane [0.101 (3) Å] being found for the formyl O atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene rings = 3.700 (3) Å] and C—H...O hydrogen bonds. Halogen bonds between the I atoms at 7-position and the formyl O atoms [I1...O3 = 3.056 (2) Å, C6—I1...O3 = 173.18 (8)° and I1...O3—C10 = 111.12 (18)°] are also formed along [110], resulting in sheets perpendicular to the c axis, constructed by C—H...O hydrogen bonds and I...O halogen bonds.
    Keywords: crystal structureπ–π stackinghydrogen bondhalogen bond
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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