Literature DB >> 33936759

Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hy-droxy-2-(4-methyl-phen-yl)-6-oxo-N-phenyl-4-(thio-phen-2-yl)cyclo-hexane-1-carbox-amide 0.04-hydrate.

Farid N Naghiyev1, Victor N Khrustalev2,3, Mehmet Akkurt4, Elnur Z Huseynov1, Ali N Khalilov1,5, Anzurat A Akobirshoeva6, İbrahim G Mamedov1.   

Abstract

In the title compound, C25H22N2O3S·0.04H2O, the central cyclo-hexane ring adopts a chair conformation. In the crystal, mol-ecules are linked by N-H⋯O, C-H⋯O, and C-H⋯N hydrogen bonds, forming the mol-ecular layers parallel to the bc plane, which inter-act by the van der Waals forces between them. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter-actions are H⋯H (41.2%), C⋯H/H⋯C (20.3%), O⋯H/H⋯O (17.8%) and N⋯H/H⋯N (10.6%). © Naghiyev et al. 2021.

Entities:  

Keywords:  1,2,7,8-tetra­hydro­iso­quinoline ring system; Hirshfeld surface analysis; crystal structure; cyclo­condensation product

Year:  2021        PMID: 33936759      PMCID: PMC8025867          DOI: 10.1107/S2056989021002449

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  8 in total

1.  Convulsant and anticonvulsant cyclopentanones and cyclohexanones.

Authors:  K D Holland; D K Naritoku; A C McKeon; J A Ferrendelli; D F Covey
Journal:  Mol Pharmacol       Date:  1990-01       Impact factor: 4.436

2.  Molecular dynamics of 6-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one and 6-methyl-2-(4-nitrophenyl)-2,3-dihydro-4H-chromen-4-one (flavanone) derivatives in a solution studied by NMR spectroscopy.

Authors:  Ibrahim Garib Mamedov; Musa Rza Bayramov; Yegana Vagif Mamedova; Abel Mammadali Maharramov
Journal:  Magn Reson Chem       Date:  2013-02-19       Impact factor: 2.447

3.  Pestalofones A-E, bioactive cyclohexanone derivatives from the plant endophytic fungus Pestalotiopsis fici.

Authors:  Ling Liu; Shuchun Liu; Xulin Chen; Liangdong Guo; Yongsheng Che
Journal:  Bioorg Med Chem       Date:  2008-12-03       Impact factor: 3.641

4.  Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination.

Authors:  Lennard Krause; Regine Herbst-Irmer; George M Sheldrick; Dietmar Stalke
Journal:  J Appl Crystallogr       Date:  2015-01-30       Impact factor: 3.304

5.  SHELXT - integrated space-group and crystal-structure determination.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A Found Adv       Date:  2015-01-01       Impact factor: 2.290

6.  Crystal structure refinement with SHELXL.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

7.  Quantitative analysis of intermolecular interactions in orthorhombic rubrene.

Authors:  Venkatesha R Hathwar; Mattia Sist; Mads R V Jørgensen; Aref H Mamakhel; Xiaoping Wang; Christina M Hoffmann; Kunihisa Sugimoto; Jacob Overgaard; Bo Brummerstedt Iversen
Journal:  IUCrJ       Date:  2015-08-14       Impact factor: 4.769

8.  The Cambridge Structural Database.

Authors:  Colin R Groom; Ian J Bruno; Matthew P Lightfoot; Suzanna C Ward
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2016-04-01
  8 in total
  1 in total

1.  Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl-butan-2-yl)-2-hy-droxy-2-methyl-4-phenyl-cyclo-hexane-1,1-dicarbo-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:  2022-05-13
  1 in total

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