Literature DB >> 35547793

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

Ali N Khalilov1,2, Victor N Khrustalev3,4, Tatiana A Tereshina3, Mehmet Akkurt5, Rovnag M Rzayev1, Anzurat A Akobirshoeva6, İbrahim G Mamedov2.   

Abstract

The title compound, 2C16H27NO·H2O, crystallizes in the monoclinic P21/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). © Khalilov et al. 2022.

Entities:  

Keywords:  1,2-amino alcohols; C—H⋯π inter­actions; Hirshfeld surface analysis; crystal structure; hydrogen bonds

Year:  2022        PMID： 35547793      PMCID： PMC9069515          DOI： 10.1107/S2056989022004297

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  12 in total

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9.  The Cambridge Structural Database.

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10.  Synthesis, Absolute Configuration, Antibacterial, and Antifungal Activities of Novel Benzofuryl β-Amino Alcohols.

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  5 in total

1.  Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-tri-methyl-benz-yl)oxazolidin-2-yl]phenol.

Authors:  Ali N Khalilov; Victor N Khrustalev; Elena A Fortalnova; Mehmet Akkurt; Sema Öztürk Yıldırım; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-06-10

2.  Crystal structure and Hirshfeld surface analysis of 2,2'-(phenyl-aza-nedi-yl)bis-(1-phenyl-ethan-1-one).

Authors:  Farid N Naghiyev; Victor N Khrustalev; Marina G Safronenko; Mehmet Akkurt; Ali N Khalilov; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-06-07

3.  Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile hemi-hydrate and 1,6-di-amino-2-oxo-4-phenyl-1,2-di-hydro-pyridine-3,5-dicarbo-nitrile.

Authors:  Farid N Naghiyev; Victor N Khrustalev; Nikolai U Venskovsky; Tatiana A Tereshina; Ali N Khalilov; Mehmet Akkurt; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-07-26

4.  Crystal structure and Hirshfeld surface analysis of 2-(4-bromo-phen-yl)-4-methyl-6-oxo-1-phenyl-1,6-di-hydro-pyridine-3-carbo-nitrile.

Authors:  Farid N Naghiyev; Victor N Khrustalev; Ekaterina V Dobrokhotova; Mehmet Akkurt; Ali N Khalilov; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-07-05

5.  Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxo-spiro-[indoline-3,4'-pyran]-5'-carboxyl-ate.

Authors:  Farid N Naghiyev; Victor N Khrustalev; Nikolai U Venskovsky; Mehmet Akkurt; Ali N Khalilov; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-08-26
  5 in total

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