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M. D. Ghate, M. V. Kulkarni, R. Shobha and S. Y. Kattimani, “Synthesis of Vanillin Ethers from 4-(Bromomethyl) Coumarins as Anti-Inflammatory Agents,” European Journal of Medicinal Chemistry, Vol. 38, No. 3, 2003, pp. 297-302. doi:10.1016/S0223-5234(03)00016-3

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• TITLE: Crystal and Molecular Structure of N-[2-(6-Methoxy-2-oxo-2H-Chromen-4-yl-Benzofuran-3-yl]- Benzamide

  AUTHORS: G. Anuradha, G. Vasuki, Imtiyaz Ahmed Khan, Manohar V. Kulkarni

  KEYWORDS: Benzamide; Benzofuran; 2H-Chromen; Single Crystal Structure; X-Ray Diffraction

  JOURNAL NAME: Crystal Structure Theory and Applications, Vol.1 No.3, December 31, 2012

  ABSTRACT: The crystal structure of the potential active N-[2-(6-Methoxy-2-oxo-2H-chromen-4-yl)-benzofuran-3-yl]-benzamide (C25H17NO5) (I) has been determined from single crystal X-ray diffraction data. The title compound crystallizes in the monoclinic space group P 21/n, with a = 12.0551(11), b = 9.7853(8), c = 16.6517(16) , β = 90.092(4)o, V = 1964.28(3) 3, Dcalc = 1.391 Mg/m3, Z = 4. In the structure, intermolecular H-bonds lead to the formation of a centrosymmetric dimer of the molecule. There is an intramolecular C7—H7…N1 hydrogen bond forming a closed seven membered ring. There are also intramolecular π-π interactions presented between the 3,6-Dihydro-2H-pyran ring of the chromen moiety [Cg2…Cg2 distance = 3.5812(13) ]. The packing structure is stabilized by these C—H…N, N—H…O hydrogen bonds, C—H… π and π…π interactions.