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  1. 21
    Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-methylquinoxalin-2(1H)-one
    “... = dihydroquinoxaline) interactions. The Hirshfeld surface analysis of the crystal structure indicates that the most...”
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    Article
  2. 22
    Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 4-[(prop-2-en-1-yloxy)methyl]-3,6-bis(pyridin-2-yl)pyridazine
    “... along the a-axis direction. Hirshfeld surface analysis indicates that the most important contributions...”
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    Article
  3. 23
    Crystal structure and Hirshfeld surface analysis of (4Z)-1-butyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
    “... hydrogen bonds. The layers are further joined by C—H...π interactions. The Hirshfeld surface analysis...”
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    Article
  4. 24
    Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of 4-[(4-allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1H-1,2,3-triazole
    “... distance = 3.7318 (10) Å] between parallel phenyl rings. Hirshfeld surface analysis indicates that the most...”
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    Article
  5. 25
    Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2-(2,4-dioxo-6-methylpyran-3-ylidene)-4-(4-pyridin-4-yl)-1,5-benzodiazepine
    “... and a dihedral angle of 14.51 (2)°. Hirshfeld surface analysis of the crystal structure indicates...”
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    Article
  6. 26
    Crystal structure, Hirshfeld surface analysis and DFT studies of ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetate
    “... of the refined occupanies are 0.821 (8):0.179 (8) and 0.651 (18):0.349 (18). The Hirshfeld surface analysis...”
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    Article
  7. 27
    Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-chloroethyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate
    “... = propynyl, Carbx = carboxylate and Chlethy = chloroethyl) hydrogen bonds. The Hirshfeld surface analysis...”
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    Article
  8. 28
    Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 5,5-diphenyl-1,3-bis(prop-2-yn-1-yl)imidazolidine-2,4-dione
    “...—HPhen...π interactions are also observed. The Hirshfeld surface analysis of the crystal structure...”
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    Article
  9. 29
    Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (2Z)-4-benzyl-2-(2,4-dichlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one
    “... be effective in the stabilization of the crystal structure. The Hirshfeld surface analysis of the crystal...”
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    Article
  10. 30
    Crystal structure and Hirshfeld surface analysis of ethyl 2-{4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate
    “.... The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions...”
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    Article
  11. 31
    Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-methyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
    “...) Å] interactions between dihydrobenzimidazol-2-one moieties. The Hirshfeld surface analysis...”
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    Article
  12. 32
    Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of (2Z)-2-(2,4-dichlorobenzylidene)-4-nonyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
    “... parallel to (012). The Hirshfeld surface analysis of the crystal structure indicates that the most...”
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    Article
  13. 33
    Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of (Z)-4-hexyl-2-(4-methylbenzylidene)-2H-benzo[b][1,4]thiazin-3(4H)-one
    “.... A Hirshfeld surface analysis of the crystal structure indicates that the most important...”
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    Article
  14. 34
    Crystal structure, Hirshfeld surface analysis and DFT study of (2Z)-2-(4-fluorobenzylidene)-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
    “... motifs, with the dimers forming oblique stacks along the a-axis direction. Hirshfeld surface analysis...”
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    Article
  15. 35
    Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 4-(furan-2-yl)-2-(6-methyl-2,4-dioxopyran-3-ylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
    “... analysis of the crystal structure indicates that the most important contributions for the crystal packing...”
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    Article
  16. 36
    Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 3-{(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}propanenitrile
    “... analysis of the crystal structure indicates that the most important contributions for the crystal packing...”
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    Article
  17. 37
    Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of ethyl 2-[(2Z)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate
    “... (5). The Hirshfeld surface analysis of the crystal structure indicates that the most important...”
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    Article
  18. 38
    Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1H-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one monohydrate
    “... generates the overall three-dimensional structure. Hirshfeld surface analysis indicates that the most...”
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    Article
  19. 39
    Crystal structure, Hirshfeld surface analysis and DFT study of (2Z)-2-(2,4-dichlorobenzylidene)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
    “... surface analysis of the crystal structure indicates that the most important contributions for the crystal...”
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    Article
  20. 40
    Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4,4-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-ylidene)-6-methyl-3,4-dihydro-2H-pyran-2,4-dione
    “.... The observed weak C—HDiazp ... π interaction may further stabilize the structure. Hirshfeld surface analysis...”
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    Article
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