• Title of article

    N′-[(1E)-(5-Nitro­furan-2-yl)methyl­­idene]thio­phene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis

  • Author/Authors

    Cardoso, Laura N. F. Fundaçaö Oswaldo Cruz - Instituto de Tecnologia em Fármacos-Far Manguinhos, Brazil , Nogueira,Thais C. M. Fundaçaö Oswaldo Cruz - Instituto de Tecnologia em Fármacos-Far Manguinhos, Brazil , Wardell, James L. Fundaçaö Oswaldo Cruz - Instituto de Tecnologia em Fármacos-Far Manguinhos, Brazil , Wardell, Solange M. S. V. CHEMSOL, Scotland , de Souza, Marcus V. N. Fundaçaö Oswaldo Cruz - Instituto de Tecnologia em Fármacos-Far Manguinhos, Brazil , Jotanid, Mukesh M. Department of Physics - Bhavan's Sheth R. A. College of Science, Ahmedabad, India , Tiekink, Edward R. T. Research Centre for Crystalline Materials - Faculty of Science and Technology, Sunway University, Malaysia

  • Pages
    11
  • From page
    1
  • To page
    11
  • Abstract
    In the title carbohydrazide, C10H7N3O4S, the dihedral angle between the terminal five-membered rings is 27.4 (2)°, with these lying to the same side of the plane through the central CN2C(=O) atoms (r.m.s. deviation = 0.0403 Å), leading to a curved mol­ecule. The conformation about the C=N imine bond [1.281 (5) Å] is E, and the carbonyl O and amide H atoms are anti. In the crystal, N—H⋯O hydrogen bonds lead to supra­molecular chains, generated by a 41 screw-axis along the c direction. A three-dimensional architecture is consolidated by thienyl-C—H⋯O(nitro) and furanyl-C—H⋯O(nitro) inter­actions, as well as π–π inter­actions between the thienyl and furanyl rings [inter-centroid distance = 3.515 (2) Å]. These, and other, weak inter­molecular inter­actions, e.g. nitro-N—O⋯π(thien­yl), have been investigated by Hirshfeld surface analysis, which confirms the dominance of the conventional N—H⋯O hydrogen bonding to the overall mol­ecular packing.
  • Keywords
    crystal structure , Hirshfeld surface analysis , conformation , hydrogen bonding , carbohydrazide
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2016
  • Record number

    2618375