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Related Concept Videos

Five-Membered Heterocyclic Aromatic Compounds: Overview01:13

Five-Membered Heterocyclic Aromatic Compounds: Overview

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Structure of Conjugated Dienes

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7-Hy-droxy-indan-1-one.

Kew-Yu Chen, Yuh-Sheng Wen, Tzu-Chien Fang

    Acta Crystallographica. Section E, Structure Reports Online
    |July 15, 2011
    PubMed
    Summary

    This study details the crystal structure of C(9)H(8)O(2), revealing intramolecular hydrogen bonds forming an S(6) ring. Intermolecular interactions further organize molecules into dimers and chains, elucidating crystal packing. Keywords: crystal structure, hydrogen bonds, molecular interactions.

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    Area of Science:

    • Crystallography
    • Chemical Physics
    • Materials Science

    Background:

    • Understanding molecular interactions is crucial for predicting material properties.
    • Hydrogen bonding plays a significant role in crystal lattice formation and stability.
    • Detailed structural analysis provides insights into intermolecular forces.

    Purpose of the Study:

    • To elucidate the crystal structure of the title compound, C(9)H(8)O(2).
    • To characterize the types and arrangements of hydrogen bonds within the crystal.
    • To analyze the resulting supramolecular architecture.

    Main Methods:

    • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
    • Analysis of hydrogen bonding networks using graph-set notation.
    • Geometric analysis of dihedral angles and ring structures.

    Main Results:

    • An intramolecular O-H⋯O hydrogen bond was identified, forming a six-membered (S(6)) ring.
    • The dihedral angle between the S(6) ring and the benzene ring is 1.89°.
    • Inversion-related molecules form cyclic dimers via O-H⋯O hydrogen bonds (R(2)(2)(12) motif).
    • Weak C-H⋯O hydrogen bonds link these dimers into chains along the [010] direction, forming R(2)(2)(8) ring motifs.

    Conclusions:

    • The crystal structure of C(9)H(8)O(2) is characterized by a combination of intra- and intermolecular hydrogen bonding.
    • These interactions lead to the formation of discrete dimers and extended chains, dictating the overall crystal packing.
    • The study provides a detailed understanding of the supramolecular assembly driven by hydrogen bonding in this compound.