Login / Signup

Synthesis and redetermination of the crystal structure of salicyl-aldehyde N(4)-morpholino-thio-semi-carbazone.

Dang Tran BuuVu Duong BaMinh Khoi Nguyen HoangTrung Vu QuocLinh Duong KhanhYen Oanh Doan ThiLuc Van Meervelt
Published in: Acta crystallographica. Section E, Crystallographic communications (2019)
The structure of the title compound (systematic name: N-{[(2-hy-droxy-phen-yl)methyl-idene]amino}-morpholine-4-carbo-thio-amide), C12H15N3O2S, was prev-iously determined (Koo et al., 1977 ▸) using multiple-film equi-inclination Weissenberg data, but has been redetermined with higher precision to explore its conformation and the hydrogen-bonding patterns and supra-molecular inter-actions. The mol-ecular structure shows intra-molecular O-H⋯N and C-H⋯S inter-actions. The configuration of the C=N bond is E. The mol-ecule is slightly twisted about the central N-N bond. The best planes through the phenyl ring and the morpholino ring make an angle of 43.44 (17)°. In the crystal, the mol-ecules are connected into chains by N-H⋯O and C-H⋯O hydrogen bonds, which combine to generate sheets lying parallel to (002). The most prominent contribution to the surface contacts are H⋯H contacts (51.6%), as concluded from a Hirshfeld surface analysis.
Keyphrases
  • crystal structure
  • electronic health record
  • high resolution
  • big data
  • room temperature
  • gold nanoparticles
  • data analysis
  • reduced graphene oxide
  • electron transfer