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Synthesis, crystal structure and Hirshfeld surface analysis of (1 H -benzimidazol-2-yl)(morpholin-4-yl)methane-thione.

Lukmonjon Z MutallievSirojiddin AbdullaevNasiba PirnazarovaIbodat ObidovaKambarali K TurgunovUbaydullo YakubovJamshid Mengnorovich AshurovBurkhan Zh ElmuradovAzimjon A Mamadrakhimov
Published in: Acta crystallographica. Section E, Crystallographic communications (2022)
The title compound, C 12 H 13 N 3 OS, was synthesized via the Willgerodt-Kindler method. The benzimidozole moiety is essentially planar (r.m.s. deviation = 0.0084 Å). The thio-amide group is inclined by 54.80 (14)° to the benzimidazole ring system. The morpholine ring is disordered over two sets of sites [ratio 0.841 (11):0.159 (11)], with chair conformations for both components. In the crystal, mol-ecules are linked into N-H⋯N hydrogen-bonded chains running parallel to the c axis. Hirshfeld surface analysis was used to qu-antify the inter-molecular inter-actions.
Keyphrases
  • crystal structure
  • molecular docking
  • high intensity
  • single molecule
  • carbon dioxide
  • solid state