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Keyword Connections - hirshfeld surface Keywords

Connection Type	Connection
Journals	Organic letters acta crystallographica section c, structural chemistry ACS omega acta crystallographica section e, crystallographic communications faraday discussions Acta crystallographica. Section E, Crystallographic communications
Research Groups	No Research Group Connected
Bibliographies	[1] Synthesis and crystal structure of 1,3-bis-(4-hy-droxy-phen-yl)-1-imidazol-3-ium chloride. [2] Gold(I)-Catalyzed and Ligand-Controlled Regioselective Cascade Cycloisomerizations of Bis(indolyl)-1,3-diynes and a Mechanistic Explanation. [3] Diruthenium complexes having a partially hydrogenated bipyridine ligand: plausible mechanism for the dehydrogenative coupling of pyridines at a diruthenium site. [4] Prediction of the Synthesis of Spiro Derivatives by Double Intramolecular Aromatic Electrophilic Substitution Using Reactivity Indices. [5] Crystal structure of a new polyoxometalate (POM) compound with a high level of crystallographic disorder. [6] crystal structure of (s)-5-chloro-n-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl}methyl)thiophene-2-carboxamide [7] structural characterization and hirshfeld surface analysis of a coii complex with imidazo[1,2-a]pyridine [8] Synthesis, spectroscopic characterization, crystal structure and Hirshfeld surface analysis of Co(III), Ni(II) and VO(IV) metal complexes with a novel Schiff base ligand and their antimicrobial activities [9] 2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium trichloroacetate: crystal structure and Hirshfeld surface analysis [10] Synthesis, molecular structure, Hirshfeld surface analysis, spectroscopic and computational studies (DFT) of 6,6'-((1E,1'E)-(1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(2-(tert-butyl)-4-methylphenol) [11] An investigation of supramolecular synthons in 1,2,4-triazole-3(4H)-thione compounds. X-ray crystal structures, energetic and Hirshfeld surface analysis [12] Hirshfeld surface analysis and DFT studies on molecular structure, vibrational spectra, NMR chemical shifts and NBO analysis of Bis(2-hydroxyethyl(phenyl)carbamodithioate) nickel (II) [13] Crystal growth, structural, optical, vibrational analysis, Hirshfeld surface and quantum chemical calculations of 1, 3, 5-triphenylbenzene single crystal [14] Spectroscopic, XRD, Hirshfeld surface and DFT approach (chemical activity, ECT, NBO, FFA, NLO, MEP, NPA& MPA) of (E)-4-bromo-2-[(4-bromophenylimino)methyl]-6-ethoxyphenol [15] Synthesis, crystal structure, DFT calculations, Hirshfeld surfaces, and antibacterial activities of schiff base based on imidazole [16] Corrigendum: Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmethyl-1H-benzimidazol-3-ium chloride monohydrate (Acta Crystallographica Section E: Crystallographic Communications (2018) E74 (1517-1520) DOI: 10.1107/S205698901801335X) [17] Corrigendum: Crystal structure and Hirshfeld surface analysis of (E)-N-[(2-ethoxynaphthalen-1-yl)methylidene]-5,6,7,8-tetrahydronaphthalen-1-amine (Acta Crystallographica Section E: Crystallographic Communications (2018) E74 (1513-1516) DOI: 10.1107/S2056989018013117) [18] Crystal structure and Hirshfeld surface analysis of 4-[4-(1-benzo[]imidazol-2-yl)phen-oxy]phthalo-nitrile dimethyl sulfoxide monosolvate. [19] Crystal structure and Hirshfeld surface analysis of 5-(3,5-di--butyl-4-hy-droxy-phen-yl)-3-phenyl-4,5-di-hydro-1-pyrazole-1-carboxamide. [20] Co-crystallization of a neutral molecule and its zwitterionic tautomer: structure and Hirshfeld surface analysis of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 5-methyl-4-(5-methyl-1H-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-ide monohydrate [21] Structural characterization, quantum chemical calculations and Hirshfeld surface analysis of a new third order harmonic organic crystal: 2-Amino-4-methylpyridinium benzilate [22] Crystal structure and Hirshfeld surface analysis of 4-allyl-2-methoxy-6-nitrophenol [23] (μ2-adipato-κ4o,o′:o′′,o′′′)bis[aqua(benzene-1,2-diamine-κ2n,n′)chloridocadmium]: crystal structure and hirshfeld surface analysis [24] crystal structure, hydrogen bonding and hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 4-chlorobenzoate [25] Synthesis, structural elucidation, spectroscopic, Hirshfeld surface analysis and theoretical simulation of a new adeninium orthoperiodate (1−) bis(hydrate) organic–inorganic hybrid crystals [26] n′-[1-(5-bromo-2-hydroxyphenyl)ethylidene]isonicotinohydrazide monohydrate: crystal structure and hirshfeld surface analysis [27] crystal structure and hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from sideritis perfoliata [28] crystal structure and hirshfeld surface analysis of aquabis(nicotinamide-κn)bis(4-sulfamoylbenzoato-κo1)copper(ii) [29] structural characterization and hirshfeld surface analysis of a coii complex with imidazo[1,2-a]pyridine [30] isoquinolinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate: crystal structure, hirshfeld surface analysis and pharmacological evaluation [31] crystal structure and hirshfeld surface analysis of 1-(2,4-dichlorobenzyl)-5-methyl-n-(thiophene-2-sulfonyl)-1h-pyrazole-3-carboxamide [32] crystal structure and hirshfeld surface analysis of 3,3′,3′′-[(1,3,5-triazine-2,4,6-triyl)tris(oxy)]tris(5,5-dimethylcyclohex-2-en-1-one) [33] crystal structure and hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-(adamantan-1-yl)-2-oxoethyl]pyridin-4-iminium bromide [34] crystal structure and hirshfeld surface analysis of (e)-4-chloro-n-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide n,n-dimethylformamide monosolvate [35] diethylenetriamine/diamines/copper (ii) complexes [cu(dien)(nn)]br2: synthesis, solvatochromism, thermal, electrochemistry, single crystal, hirshfeld surface analysis and antibacterial activity [36] Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[ b ]benzo[5,6][1,4]oxazino[2,3- e ][1,4]oxazine [37] Crystal structures and Hirshfeld surface analyses of ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene and ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene. [38] Synthesis, crystal structure and Hirshfeld surface analysis of -butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate. [39] Crystal structures and Hirshfeld surface analyses of ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol tribromide (1/1), ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol di-bromido-iodate (1/1) and ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol di-chlorido-iodate (1/1).