Showing 1 - 20 results of 28 for search 'SCRIPT ANALYSIS', query time: 0.31s Refine Results
  1. 1
    1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione
    Subjects: “...puckering analysis...”
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    Article
  2. 2
    Crystal structure and Hirshfeld surface analysis study of (E)-1-(4-chlorophenyl)-N-(4-ferrocenylphenyl)methanimine
    “... analysis of the crystal structure indicates that the most important contributions for the crystal packing...”
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    Article
  3. 3
    Crystal structure and Hirshfeld surface analysis of 5-methyl-1,2,4-triazolo[1,5-a]pyrimidine
    Subjects: “...Hirshfeld surface analysis...”
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    Article
  4. 4
    Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 1-decyl-2,3-dihydro-1H-benzimidazol-2-one
    Subjects: “...hirshfeld surface analysis...”
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    Article
  5. 5
    Crystal structure, Hirshfeld surface analysis and DFT study of 6-bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3H-imidazo[4,5-b]pyridine
    Subjects: “...hirshfeld surface analysis...”
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    Article
  6. 6
    Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate
    “... analysis of the crystal structure indicates that the most important contributions for the crystal packing...”
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    Article
  7. 7
    Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-(1,3-benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one
    “... surface analysis of the crystal structure indicates that the most important contributions for the crystal...”
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    Article
  8. 8
    Crystal structure and Hirshfeld surface analysis of 1-benzyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
    “...) interactions. The Hirshfeld surface analysis of the crystal structure indicates that the most important...”
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    Article
  9. 9
    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
  10. 10
    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
  11. 11
    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
  12. 12
    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
  13. 13
    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
  14. 14
    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
  15. 15
    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
  16. 16
    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
  17. 17
    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
  18. 18
    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
  19. 19
    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
  20. 20
    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
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