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Material Type: Artigo
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Palladium orthometallated complexes containing acetophenoneoxim synthesis, crystal structures and hirshfeld surface analysisGabriela F Bozza Renan L de Farias; Ronan F F Souza; Fillipe V Rocha; Carolina V Barra; Victor Marcelo Deflon; Eduardo Tonon de Almeida; Antonio E Mauro; Adelino V. G NettoJournal of Molecular Structure Amsterdam v. 1175, p. 195-207, Jan.2019Amsterdam 2019Localização: IQSC - Inst. Química de São Carlos (P17791 )(Acessar) |
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2 |
Material Type: Artigo
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Facile Ultrasound based Synthesis, SCXRD, DFT Exploration of the Substituted AcylHydrazones An Experimental and Theoretical Slant towards Supramolecular ChemistryMuhammad Khalid Akbar Ali; Saba Abid; Muhammad Nawaz Tahir; Muhammad Usman Khan; Muhammad Ashfaq; Muhammad Imran; Anees AhmadChemistrySelect Weinheim: Wiley-VCH Verlag GmbH & Co v. 5, p. ,14844– 14856, 2020Weinheim 2020Localização: IQSC - Inst. Química de São Carlos (P19185 )(Acessar) |
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3 |
Material Type: Artigo
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1-Ethyl 2-methyl 3,4-bis(acetyloxy)pyrrolidine-1,2- dicarboxylate crystal structure, Hirshfeld surface analysis and computational chemistrySofia Dallasta Pedroso Ignez Caracelli; Júlio Zukerman-Schpector; Monica Soto-Monsalve; Regina Helena de Almeida Santos; Carlos Roque D Correia; Ariel L. Llanes Garcia; Huey Chong Kwong; Edward R. T TiekinkActa Crystallographica Section E Crystallographic Communications Hoboken: Wiley-Blackwell v. E76, part. 6, p. 967-972, june, 2020Hoboken 2020Localização: IQSC - Inst. Química de São Carlos (P18862 )(Acessar) |
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4 |
Material Type: Artigo
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Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state networkMuhammad Khalid Akbar Ali; Muhammad Usman Khan; Muhammad Nawaz Tahir; Anees Ahmad; Muhammad Ashfaq; Riaz Hussain; Sara Figueirêdo de Alcântara Morais; Ataualpa Albert Carmo BragaJournal of Molecular Structure Amsterdam: Elsevier v. 1230 p. 129827, 15 April 2021Amsterdam 2021Localização: IQSC - Inst. Química de São Carlos (P19218 )(Acessar) |
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5 |
Material Type: Artigo
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Understanding the conformational changes and molecular structure of furoyl thioureas upon substitutionRaúl Ramos Cairo Ana María Plutín Stevens; Tamires Donizeth de Oliveira; Alzir A Batista; Eduardo Ernesto Castellano; Julio Duque; Delia B Soria; Adolfo C Fantoni; Rodrigo S Corrêa; Mauricio F ErbenSpectrochimica Acta A Amsterdam : Elsevier BV v. 176, p. 8-17, Apr. 2017Amsterdam 2017Localização: IFSC - Inst. Física de São Carlos (PROD025712 )(Acessar) |
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6 |
Material Type: Artigo
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Structural, theoretical analysis, and molecular docking of two benzamide isomers halogen bonding and its role in the diverse ways of coupling with protein residuesRodolfo Moreno-Fuquen Esteban García-Torres; Kevin Arango-Daraviña; Javier EllenaChemical and Pharmaceutical Bulletin Tokyo v. 70, n. 11, p. 782-790 + supplementary material, Nov. 2022Tokyo 2022Localização: IFSC - Inst. Física de São Carlos (PROD033654 )(Acessar) |
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7 |
Material Type: Artigo
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Synthesis, Molecular Structure, DFT Studies, Non-covalent Interaction Plots, Hirshfeld Surface Analysis and Molecular Docking Studies of Homoleptic Mn(II)(4,4,4-trifluoro-1-phenyl-1,3-butanedione)2Manikumar, Athan ; Novina, J. Josephine ; Nagarajan, LoganathanJournal of molecular structure, 2023-12, Vol.1293, p.136314, Article 136314 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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8 |
Material Type: Artigo
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Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonateKafuta, Kevin ; Golz, Christopher ; Alcarazo, ManuelActa crystallographica. Section E, Crystallographic communications, 2020-07, Vol.76 (7), p.1126-1130 [Periódico revisado por pares]International Union of CrystallographyTexto completo disponível |
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9 |
Material Type: Artigo
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Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di-methyl-phen-yl)-5-(4-nitro-phen-yl)-2H-1,2,3-triazoleMaharramov, Abel ; Shikhaliyev, Namiq Q ; Abdullayeva, Afaq ; Atakishiyeva, Gulnar T ; Niyazova, Ayten ; Khrustalev, Victor N ; Gahramanova, Shahnaz I ; Atioğlu, Zeliha ; Akkurt, Mehmet ; Bhattarai, AjayaActa crystallographica. Section E, Crystallographic communications, 2023-10, Vol.79 (Pt 10), p.905-909 [Periódico revisado por pares]International Union of CrystallographyTexto completo disponível |
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10 |
Material Type: Artigo
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Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[( E )-(4-chlorophenyl)diazenyl]ethenyl}- N , N -dimethylanilineAtioğlu, Zeliha ; Akkurt, Mehmet ; Shikhaliyev, Namiq Q. ; Mukhtarova, Sevinc H. ; Suleymanova, Gulnar T. ; Toze, Flavien A. A.Acta crystallographica. Section E, Crystallographic communications, 2020-07, Vol.76 (7), p.1033-1037 [Periódico revisado por pares]International Union of CrystallographyTexto completo disponível |