Crystal structure and Hirshfeld surface analysis of 1-(tert-butylamino)-3-mesitylpropan-2-ol hemihydrate

The title compound, 2C(16)H(27)NO center dot H2O, crystallizes in the monoclinic P2(1)/c space group with two independent molecules (A and B) in the asymmetric unit. In the crystal, molecules A and B are linked through the water molecules by intermolecular O-H center dot center dot center dot O and O-H center dot center dot center dot 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 center dot center dot center dot pi interactions, generating ribbons along the b-axis direction. The stability of the molecular packaging is ensured by van der Waals interactions between the ribbons. According to the Hirshfeld surface study, H center dot center dot center dot H interactions are the most significant contributors to the crystal packing (80.3% for molecule A and 84.8% for molecule B).

Automated summary

The title compound crystallizes in the monoclinic structure with two independent molecules A and B linked through hydrogen bonds with water molecules, forming chains and ribbons in the crystal lattice. The stability of the crystal packing is ensured by van der Waals interactions, with significant contributions from H···H interactions according to Hirshfeld surface study.