title: N'-[(1E)-(5-Nitro-furan-2-yl)methyl-idene]thio-phene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis.
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 mol-ecule. 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 supra-molecular 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) inter-actions, as well as π-π inter-actions between the thienyl and furanyl rings [inter-centroid distance = 3.515 (2) Å]. These, and other, weak inter-molecular inter-actions, e.g. nitro-N-O⋯π(thien-yl), have been investigated by Hirshfeld surface analysis, which confirms the dominance of the conventional N-H⋯O hydrogen bonding to the overall mol-ecular packing.
authors.affiliation: Fundaçaö Oswaldo Cruz, Instituto de Tecnologia em Fármacos-Far Manguinhos, 21041-250 Rio de Janeiro, RJ, Brazil.
authors.forename: Laura N F
authors.initials: LN
authors.lastname: Cardoso
authors.affiliation: Fundaçaö Oswaldo Cruz, Instituto de Tecnologia em Fármacos-Far Manguinhos, 21041-250 Rio de Janeiro, RJ, Brazil.
authors.forename: Thais C M
authors.initials: TC
authors.lastname: Nogueira
authors.affiliation: Fundaçaö Oswaldo Cruz, Instituto de Tecnologia em Fármacos-Far Manguinhos, 21041-250 Rio de Janeiro, RJ, Brazil; Department of Chemistry, University of Aberdeen, Old Aberdeen, AB24 3UE, Scotland.
authors.forename: James L
authors.initials: JL
authors.lastname: Wardell
authors.affiliation: CHEMSOL, 1 Harcourt Road, Aberdeen AB15 5NY, Scotland.
authors.forename: Solange M S V
authors.initials: SM
authors.lastname: Wardell
authors.affiliation: Fundaçaö Oswaldo Cruz, Instituto de Tecnologia em Fármacos-Far Manguinhos, 21041-250 Rio de Janeiro, RJ, Brazil.
authors.forename: Marcus V N
authors.initials: MV
authors.lastname: de Souza
authors.affiliation: Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380 001, India.
authors.forename: Mukesh M
authors.initials: MM
authors.lastname: Jotani
authors.affiliation: Research Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.
authors.forename: Edward R T
authors.initials: ER
authors.lastname: Tiekink
keywords: Hirshfeld surface analysis; carbohydrazide; conformation; crystal structure; hydrogen bonding