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  • crystal structurediaroyl pyrazolecyclizationstacking interactionC—H...O hydrogen bonding  (2)
  • International Union of Crystallography (IUC)  (2)
  • 2010-2014  (2)
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Publisher
  • International Union of Crystallography (IUC)  (2)
Years
  • 2010-2014  (2)
Year
  • 1
    Publication Date: 2014-11-19
    Description: The title compound, C21H12Cl2N2O3, is a 1,4-diaroyl pyrazole derivative and has three aromatic rings. The dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and phenyl rings and the naphthalene ring system and the phenyl ring are 49.44 (13), 49.87 (16) and 0.58 (11)°, respectively. The phenolic proton forms an intramolecular O—H...O hydrogen bond with an adjacent carbonyl O atom. In the crystal, the molecules are linked through stacking interactions between the pyrazole rings [centroid–centroid distances = 3.546 (3)] and between the naphthalene ring system and the phenyl ring [centroid–centroid distances = 3.609 (4) Å] along the a-axis direction. The molecules are further connected through C—H...O hydrogen bonds, forming inversion dimers.
    Keywords: crystal structurediaroyl pyrazolecyclizationstacking interactionC—H...O hydrogen bonding
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
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  • 2
    Publication Date: 2014-08-21
    Description: In the title compound, C21H12Br2N2O3, a 1,4-diaroyl pyrazole derivative, the dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and benzene rings, and the naphthalene ring system and benzene ring are 50.0 (2), 51.1 (2) and 1.34 (16)°, respectively. The phenolic proton forms an intramolecular O—H...O hydrogen bond with the adjacent carbonyl O atom. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming inversion dimers. The dimers are linked by C—H...Br hydrogen bonds, forming double stranded chains along [01-1]. The chains are linked by π–π interactions between the pyrazole rings and between the naphthalene and benzene rings [centroid–centroid distances = 3.592 (4) and 3.632 (4) Å, respectively].
    Keywords: crystal structurediaroyl pyrazolecyclizationstacking interactionC—H...O hydrogen bonding
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Location Call Number Expected Availability
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