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crystal structure (18) 18
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Acta crystallographica. Section E, Crystallographic communications, ISSN 2056-9890, 04/2015, Volume 71, Issue 5, pp. o291 - o292
In the title compound, C H ClN O , the dihedral angle between the benzofuran ring system [maximum deviation 0.014 (2) Å] and the oxopyradizine ring is 73.33... 
Hydrogen bonding | Pyridazinone derivative | Crystal structure | crystal structure | pyridazinone derivative | hydrogen bonding
Journal Article
Zeitschrift für Kristallographie. New crystal structures, ISSN 2197-4578, 01/2016, Volume 231, Issue 3, pp. 835 - 837
, triclinic, 1̅ (no. 2), = 10.9734(4) Å, = 11.8835(5) Å, = 13.0996(5) Å, = 78.581(2)°, = 78.542(1)°, = 83.725(2)°, = 1636.68(11) Å , = 4, = 0.0439, = 0.1182, =... 
1437241 | Crystallography | Physical Sciences | Science & Technology
Journal Article
Zeitschrift für Kristallographie. New crystal structures, ISSN 2197-4578, 01/2016, Volume 231, Issue 3, pp. 883 - 886
O, triclinic, 1̅ (no. 2), = 11.8865(6) Å, = 12.6289(7) Å, = 13.5579(7) Å, = 74.552(2)°, = 83.174(2)°, = 62.534(2)°, = 1740.56(16) Å , = 4, = 0.0610, = 0.1713,... 
1443899 | Crystallography | Physical Sciences | Science & Technology
Journal Article
Journal of molecular structure, ISSN 0022-2860, 02/2021, Volume 1225, p. 129072
•E-MBPC was synthesized and characterized by FT-IR, 1H NMR, 13C NMR, ESI-MS and single-crystal XRD.•Theoretical structures of E-MBPC were optimized using... 
NBO | AIM | Pyrazole | Molecular docking | Crystal structure | Hirshfeld surface
Journal Article
Journal of molecular structure, ISSN 0022-2860, 02/2019, Volume 1177, pp. 47 - 54
The synthesis, spectroscopic characterization, reactivity study and evaluation of antioxidant and α-glucosidase inhibitory activities of two Schiff bases... 
Molecular dynamics | Schiff bases | ALIE | α-Glucosidase inhibition | DFT | Antioxidant activity | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology | Antioxidants | Thiols | Triazoles | Hydrogen | Analysis | Chemical properties
Journal Article
Journal of molecular structure, ISSN 0022-2860, 11/2020, Volume 1219
New crystal, (E)-N'-(4-(dimethylamino)benzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide (3) has been synthesized and characterized by FT-IR, NMR, ESI-MS and... 
Antioxidants | Diffraction | Spectrum analysis | Crystals | X-rays | Structure
Journal Article
Colloids and surfaces. A, Physicochemical and engineering aspects, ISSN 0927-7757, 11/2020, Volume 604, p. 125325
[Display omitted] •Investigation of the corrosion inhibition of two pyrazole derivatives.•The adsorption of inhibitors obeys Langmuir adsorption isotherm and... 
Pyrazole derivatives | Mild steel corrosion | Electrochemical techniques | SEM | DFT/MD | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology
Journal Article
Journal Article