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A redetermination of the crystal structure of the mannitol complex NH4[Mo2O5(C6H11O6)]·H2O: hydrogen-bonding scheme and Hirshfeld surface analysis

scientific article published on 10 March 2020

Crystal and molecular structure of [Ni{2-H2NC(=O)C5H4N}2(H2O)2][Ni{2,6-(O2C)2C5H3N}2]·4.67H2O; DFT studies on hydrogen bonding energies in the crystal

scientific article published on 09 July 2020

Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-di-hydro-quinoline-4-carboxyl-ate

scientific article published on 11 June 2019

Crystal structure and Hirshfeld surface analysis of (4)-1-butyl-4-(2-oxo-propyl-idene)-2,3,4,5-tetra-hydro-1-1,5-benzodiazepin-2-one

artículo científico publicado en 2018

Crystal structure and Hirshfeld surface analysis of -{2-[()-(4-methyl-benzyl-idene)amino]-phen-yl}-2-(5-methyl-1--pyrazol-3-yl)acetamide hemihydrate

scientific article published on 08 January 2019

Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-methylquinoxalin-2(1H)-one

artículo científico publicado en 2018

Crystal structure and Hirshfeld surface analysis of 1-benzyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

scientific article published on 22 November 2018

Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-di-hydro-1H-1,3-benzo-diazol-1-yl]meth-yl}-3-(prop-1-en-2-yl)-2,3-di-hydro-1H-1,3-benzo-diazol-2-one

scientific article published on 09 November 2018

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

artículo científico publicado en 2019

Crystal structure and Hirshfeld surface analysis of 3-(4-meth-oxy-phen-yl)-1-methyl-4-phenyl-1-pyrazolo-[3,4-]pyrimidine

artículo científico publicado en 2019

Crystal structure and Hirshfeld surface analysis of 5-[(5-nitro-1-indazol-1-yl)meth-yl]-3-phenyl-4,5-di-hydro-isoxazole

artículo científico publicado en 2019

Crystal structure and Hirshfeld surface analysis of 5-methyl-1,2,4-triazolo[1,5-a]pyrimidine

artículo científico publicado en 2018

Crystal structure and Hirshfeld surface analysis of N-(tert-but-yl)-2-(phenyl-ethyn-yl)imidazo[1,2-a]pyridin-3-amine

artículo científico publicado en 2019

Crystal structure and Hirshfeld surface analysis of a new benzodiazepine derivative: 4-di-chloro-methyl-2,3-di-hydro-1-1,5-benzodiazepin-2-one

artículo científico publicado en 2019

Crystal structure and Hirshfeld surface analysis of ethyl 2-{4-[(3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)meth-yl]-1-1,2,3-triazol-1-yl}acetate

scientific article published on 23 October 2018

Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-di-hydro-quinoline-4-carboxyl-ate

scientific article published on 09 April 2020

Crystal structure determination, Hirshfeld surface, crystal void, intermolecular interaction energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)acetic acid

artículo científico publicado en 2022

Crystal structure of a palladium(II) complex containing the wide bite-angle bis-(selenium) ligand, cis-[( t BuNH)(Se)P(μ-N t Bu)2P(Se)(NH t Bu)].

artículo científico publicado en 2018

Crystal structure, DFT calculations and Hirshfeld surface analysis of 3-(4-methylphenyl)-6-nitro-1H-indazole

artículo científico publicado en 2018

Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di-hydro-1H-indole-2,3-dione

scientific article published on 12 July 2019

Crystal structure, Hirshfeld surface analysis and DFT calculations of (<i>E</i>)-3-[1-(2-hydroxyphenylanilino)ethylidene]-6-methylpyran-2,4-dione

artículo científico publicado en 2022

Crystal structure, Hirshfeld surface analysis and DFT studies of 1,3-bis-[2-meth-oxy-4-(prop-2-en-1-yl)phen-oxy]propane

artículo científico publicado en 2020

Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1H-1,2,3-triazol-5-yl)meth-yl]-2,3-di-hydro-1H-1,3-benzo-diazol-2-one monohydrate

scientific article published on 01 January 2020

Crystal structure, Hirshfeld surface analysis and DFT studies of 6-bromo-3-(12-bromo-dodec-yl)-2-(4-nitro-phen-yl)-4H-imidazo[4,5-b]pyridine

scientific article published on 21 April 2020

Crystal structure, Hirshfeld surface analysis and DFT study of (2)-2-(2,4-di-chloro-benzyl-idene)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)eth-yl]-3,4-di-hydro-2-1,4-benzo-thia-zin-3-one

scientific article published on 09 April 2019

Crystal structure, Hirshfeld surface analysis and DFT study of (2)-2-(4-fluoro-benzyl-idene)-4-(prop-2-yn-1-yl)-3,4-di-hydro-2-1,4-benzo-thia-zin-3-one

artículo científico publicado en 2019

Crystal structure, Hirshfeld surface analysis and DFT study of 6-bromo-3-(5-bromo-hex-yl)-2-[4-(di-methyl-amino)-phen-yl]-3H-imidazo[4,5-b]pyridine

artículo científico publicado en 2020

Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of (2Z)-4-benzyl-2-(2,4-di-chloro-benzyl-idene)-2H-1,4-benzo-thia-zin-3(4H)-one

scientific article published on 22 October 2019

Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of 1-(1,3-benzo-thia-zol-2-yl)-3-(2-hy-droxy-eth-yl)imidazolidin-2-one

artículo científico publicado en 2020

Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of 1-methyl-3-(prop-2-yn-1-yl)-2,3-di-hydro-1H-1,3-benzo-diazol-2-one

scientific article published on 29 November 2019

Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of 2-chloro-ethyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-di-hydro-quinoline-4-carboxyl-ate

artículo científico publicado en 2019

Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of 3-{(2Z)-2-[(2,4-di-chloro-phen-yl)methyl-idene]-3-oxo-3,4-di-hydro-2H-1,4-benzo-thia-zin-4-yl}propane-nitrile

scientific article published on 03 May 2019

Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of 4-[(prop-2-en-1-yl-oxy)meth-yl]-3,6-bis-(pyridin-2-yl)pyridazine

artículo científico publicado en 2019

Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of methyl 4-[3,6-bis-(pyridin-2-yl)pyridazin-4-yl]benzoate

scientific article published on 22 October 2019

Crystal structure, Hirshfeld surface analysis and inter-action energy, DFT and anti-bacterial activity studies of (Z)-4-hexyl-2-(4-methyl-benzyl-idene)-2H-benzo[b][1,4]thia-zin-3(4H)-one

artículo científico publicado en 2020

Crystal structure, Hirshfeld surface analysis and inter-action energy, DFT and anti-bacterial activity studies of ethyl 2-[(2Z)-2-(2-chloro-benzyl-idene)-3-oxo-3,4-di-hydro-2H-1,4-benzo-thia-zin-4-yl]acetate

scientific article published on 07 April 2020

Crystal structure, Hirshfeld surface analysis, inter-action energy and DFT studies of (2Z)-2-(2,4-di-chloro-benzyl-idene)-4-nonyl-3,4-di-hydro-2H-1,4-benzo-thia-zin-3-one

artículo científico publicado en 2020

Crystal structure, Hirshfeld surface analysis, inter-action energy and DFT studies of 4-[(4-allyl-2-meth-oxy-phen-oxy)meth-yl]-1-(4-meth-oxy-phen-yl)-1H-1,2,3-triazole

artículo científico publicado en 2020

Crystal structure, computational study and Hirshfeld surface analysis of ethyl (2S,3R)-3-(3-amino-1H-1,2,4-triazol-1-yl)-2-hy-droxy-3-phenyl-propano-ate

scientific article published on 26 November 2019

Crystal structures of the hexa-fluorido-phosphate salts of the isomeric 2-, 3- and 4-cyano-1-methyl-pyridinium cations and determination of solid-state inter-action energies

artículo científico publicado en 2018

Crystal structures of three sterically congested disilanes.

artículo científico publicado en 2017

Crystal structures of two charge-transfer com-plexes of benzo[1,2-c:3,4-c':5,6-c'']tri-thio-phene (D 3h -BTT)

scientific article published on 30 September 2019

Ethyl 2-(4-benzyl-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetate: crystal structure and Hirshfeld surface analysis

scientific article published on 22 February 2019

Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiWO]: a synthetic, structural and computational investigation

artículo científico publicado en 2018

Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carb-oxy-lic acid and 2,2,5-trimethyl-1,3-dioxane-5-carb-oxy-lic anhydride

scientific article published on 01 January 2020

Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 2-(1-decyl-2-oxo-indolin-3-yl-idene)propanedi-nitrile

artículo científico publicado en 2019

Synthesis, resolution and crystal structures of two enanti-omeric rhodamine derivatives.

artículo científico publicado en 2017

The [4 + 4] thermocyclization of 9-anthraldehyde: synthesis, crystal structure, experimental and theoretical UV spectra, natural bonding orbital analysis and prediction of third-order nonlinear optical properties.

artículo científico publicado en 2018

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