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Crystal structure and Hirshfeld surface analysis of 1-( tert -butyl-amino)-3-mesitylpropan-2-ol hemi-hydrate.

Ali N KhalilovVictor N KhrustalevTatiana A TereshinaMehmet AkkurtRovnag M RzayevAnzurat A Akobirshoevaİbrahim G Mamedov
Published in: Acta crystallographica. Section E, Crystallographic communications (2022)
The title compound, 2C 16 H 27 NO·H 2 O, crystallizes in the monoclinic P 2 1 / c space group with two independent mol-ecules ( A and B ) in the asymmetric unit. In the crystal, mol-ecules A and B are linked through the water mol-ecules by inter-molecular O-H⋯O and O-H⋯N hydrogen bonds, producing chains along the b -axis direction. These chains are linked with neighboring chains parallel to the (103) plane via C-H⋯π inter-actions, generating ribbons along the b -axis direction. The stability of the mol-ecular packaging is ensured by van der Waals inter-actions between the ribbons. According to the Hirshfeld surface study, H⋯H inter-actions are the most significant contributors to the crystal packing (80.3% for mol-ecule A and 84.8% for mol-ecule B ).
Keyphrases
  • crystal structure
  • solid state