Acta Crystallographica Section C-Structural Chemistry

(The TQCC of Acta Crystallographica Section C-Structural Chemistry is 2. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 500 papers]. The publications cover those that have been published in the past four years, i.e., from 2019-11-01 to 2023-11-01.)
First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study18
Anthelmintic flavonoids and other compounds from Combretum glutinosum Perr. ex DC (Combretaceae) leaves11
Synthesis, experimental andin silicostudies ofN-fluorenylmethoxycarbonyl-O-tert-butyl-N-methyltyrosine, coupled with CSD data: a survey of interactions in the crysta9
A Co-MOF with a (4,4)-connected binodal two-dimensional topology: synthesis, structure and photocatalytic properties8
Halogen bonds, chalcogen bonds, pnictogen bonds, tetrel bonds and other σ-hole interactions: a snapshot of current progress8
Crystal structure, thermodynamic properties and detonation characterization of bis(5-amino-1,2,4-triazol-3-yl)methane8
C—Br...S halogen bonds in novel thioureaN-oxide cocrystals: analysis of energetic and QTAIM parameters7
Crystal structure of a high-pressure phase of magnesium chloride hexahydrate determined byin-situX-ray and neutron diffraction methods7
Crystal structures of salts of bedaquiline6
Crystal structure and optical properties of a two-sited EuIIIcompound: an EuIIIion coordinated by two [EuIII(DOTA)]complexes (DOTA is 1,4,7,10-tetraazacycl6
Two new zinc(II) and mercury(II) complexes based on N,N′-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities6
Bulk polarity of 3,5,7-trinitro-1-azaadamantane mediated by asymmetric NO2(lone pair)...NO2(π-hole) supramolecular bonding6
Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C6H5O)2P(O)X [X = NHC7H13<6
Playing around with MP, a tool for the analysis of pseudosymmetry: recurrent appearance of local pseudo-space groups in the asymmetric unit of Z′ = 4 structures6
Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation6
Intermolecular interactions and disorder in six isostructural celecoxib solvates6
The photochromic behaviour of two viologen salts modulated by the distances between the halide anions and the cationic N atoms of viologen6
77Se and 125Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals6
Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba2ZnP26
The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding6
Crystal structure of monoclinic hafnia (HfO2) revisited with synchrotron X-ray, neutron diffraction and first-principles calculations5
Structural diversity, magnetic properties and luminescence of NiII, CoII and ZnII coordination polymers derived from 3,3′-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic 5
Crystal structure refinements of stoichiometric Ni3Se2 and NiSe5
Ditopic halogen bonding with bipyrimidines and activated pyrimidines5
Influence of the position of the methyl substituent and N-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives5
Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes5
The effect of cation–π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study5
Crystal structure of potassium chloride monohydrate: water intercalation into the B1 structure of KCl under high pressure5
Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality5
Two new NiII and ZnII metal–organic frameworks of glutarate and 1,4-bis[(2-methyl-1H-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing p5
Psilocybin: crystal structure solutions enable phase analysis of prior art and recently patented examples5
Trithiocyanuric acid: novel cocrystals and analysis of its tautomeric forms4
Δ9-Tetrahydrocannabinolic acid A, the precursor to Δ9-tetrahydrocannabinol (THC)4
Conformational analysis of two new organotin(IV) structures completed with a CSD survey4
A novel three-dimensional zinc(II) coordination polymer based on 3,3′-{[1,3-phenylenebis(methylene)]bis(oxy)}dibenzoic acid and 1,4-bis(pyridin-4-yl)benzene: synthesis, crystal structure and photocata4
Structure determination of a new cocrystal of carbamazepine and DL-tartaric acid by synchrotron powder X-ray diffraction4
Tracking the dissolution–recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study4
Crystal structure and photoreactivity of a halogen-bonded cocrystal based upon 1,2-diiodoperchlorobenzene and 1,2-bis(pyridin-4-yl)ethylene4
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry4
A new heteroleptic phosphorescent cuprous complex supported by a BINAP ligand: synthesis, structure, luminescence properties and theoretical analyses4
Halobismuth(III) salts with substituted aminopyridinium cations4
Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids4
A new monoclinic structure type for ternary gallide MgCoGa24
A 2D coordination polymer assembled from a nickel(II) tetraazamacrocyclic cation and 4,4′-(dimethylsilanediyl)diphthalate(3–) linker4
Structural analysis of interpenetrated methyl-modified MOF-5 and its gas-adsorption properties3
Crystal structure, electronic structure, and optical properties of the novel Li4CdGe2S7, a wide-bandgap quaternary sulfide with a polar structure derived from lonsdale3
Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone3
Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dinitrate3
A 35-year-old mystery solved: a facile synthetic route and structural confirmation of tetrachlorobis(diethyl ether)tungsten(IV)3
Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis3
Crystal structure characterization and electronic structure of a rare-earth-containing Zintl phase in the Yb–Al–Sb family: Yb3AlSb33
Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole–vanillic acid cocrystal: insights from energy frameworks3
The first example of the stereoselective synthesis and crystal structure of a spirobicycloquinazolinone based on (–)-fenchone and anthranilamide3
Dinuclear cobalt and nickel complexes of a mercaptoacetic acid substituted 1,2,4-triazole ligand: syntheses, structures and urease inhibitory studies3
Structure determination of riboflavin by synchrotron high-resolution powder X-ray diffraction3
Synthesis, structural, characterization and Hirshfeld analysis of a bisselenide and a zinc complex of a new hemilabile ferrocenylbisphosphane, [Fe{C5H4P(C6H43
Biological properties of two enantiomorphic forms ofN-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam3
LaTe1.82(1): modulated crystal structure and chemical bonding of a chalcogen-deficient rare earth metal polytelluride3
Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V)3
Two monosodium salt hydrates of Colour Index Pigment Red 483
Synthesis, crystal structure and luminescence properties of a new samarium borate phosphate, CsNa2Sm2(BO3)(PO4)23
Synthesis, structure and computational study of 5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (Pesta) and its heterometallic π,σ-complex [Cu2FeCl2(Pesta)3
Deep hydration of an Li7–3x La3Zr2 M III 3
Crystallographic studies of piperazine derivatives of 3-methyl-5-spirofluorenehydantoin in search of structural features of P-gp inhibitors3
New solvates and a salt of the anti-HIV compound etravirine3
Two coordination polymers constructed by 5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid and 2,2′-bipyridine: syntheses, structures and luminescence properties3
Alkali metal salts of 4-hydroxybenzoic acid: a structural and educational study3
Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac3
Band gap, sorption properties and fluorescence sensing behaviour of a novel 1D→2D cathenane-like cobalt(II)–organic framework3
Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole3
Low-temperature phases of dicalcium barium hexakis(propanoate)3
Regio- and stereospecific assembly of dispiro[indoline-3,3′-pyrrolizine-1′,5′′-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization3
Synthesis, crystal structure, and electronic structure of Li2PbSiS4: a quaternary thiosilicate with a compressed chalcopyrite-like structure3
(E,E)-1,1′-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) is3
Experimental and theoretical investigations on a furan-2-carboxamide-bearing thiazole: synthesis, molecular characterization by IR/NMR/XRD, electronic characterization by DFT, Hirshfeld surface analys2
A new family of lanthanide coordination polymers based on 3,3′-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties2
Crystal structure, thermal behaviour and detonation characterization of bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate2
Supramolecular interactions in salts/cocrystals involving pyrimidine derivatives of sulfonate/carboxylic acid2
Serendipity: Werner's argument that the `two-only forms' (green and violet) of [CoCl2(en)2]+salts demanded his octahedral model was correct. True?2
Transition-metal complexes of group 12 with 1,1′-bis(phosphanyl)ferrocene ligands2
Carbon-atom hybridization tunes the halogen-bond strength in the series of DABCO·C2H2n I2 (n = 0–2) cocrystals2
Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives2
Characterization, crystal structure and cytotoxic activity of a rare iridoid glycoside from Lonicera saccata2
Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil2
Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors2
Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing Z2
Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, sp2
Synthesis, structural elucidation, characterization and theoretical DFT study of 1-(o-tolyl)biguanidium chloride2
Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-b][1,2,4]benzothiadiazine 12,12-dioxide and its precursors2
Improving the solubility of berberine2
Fourfold alkyl wrapping of a copper(II) porphyrin thwarts macrocycle π–π stacking in a compact supramolecular package2
Synthesis, structure and in vitro biological properties of a new copper(II) complex with 4-{[3-(pyridin-2-yl)-1H-pyrazol-1-yl]methyl}benzoic acid2
Tolerance factor and phase stability of the garnet structure. Corrigendum2
Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate2
Synthesis, spectroscopic (FT–IR and UV–Vis), crystallographic and theoretical studies, and a molecular docking simulation of an imatinib-like template2
Twist-chair conformation of the tetraoxepane ring remains unchanged in tetraoxaspirododecane diamines2
A novel three-dimensional tetranuclear CoII coordination polymer with water hexamers based on the V-shaped tetracarboxylate ligand 4-(2,4-dicarboxylatophenoxy)phthalate2
Competition between chalcogen and halogen bonding assessed through isostructural species2
Ionic cocrystals of dithiobispyridines: the role of I...I halogen bonds in the building of iodine frameworks and the stabilization of crystal structures2
SHG in a centrosymmetric crystal – can it be possible?2
Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives2
Synthesis, crystal structure and bioactivities of α-asaronol2
Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of N-(thiophen-2-ylmethyl)thiophene-2-carboxamide2
The crystalline forms of nine hydrochloride salts of substituted tryptamines2
Complexes of 2,4,6-trihydroxybenzoic acid: effects of intramolecular hydrogen bonding on ligand geometry and metal binding modes2
A new langbeinite-type phosphate K2GdHf(PO4)3: synthesis, crystal structure, band structure and luminescence properties2
Self-assembly of a cobalt(II)-based metal–organic framework as an effective water-splitting heterogeneous catalyst for light-driven hydrogen production2
Electron diffraction study of the space group of Bi5Ti3FeO15 multiferroic ceramic2
7-Iodo-5-aza-7-deazaguanine ribonucleoside: crystal structure, physical properties, base-pair stability and functionalization2
Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct rtct-tetrakis(pyridin-4-yl)cyclobutane2
Insights on structure and interactions of 2-amino-4-methoxy-6-methylpyrimidinium salts with 4-aminosalicylate and 5-chlorosalicylate: a combined experimental and theoretical charge–density analysis2
Synthesis and characterization of the Anderson–Evans tungstoantimonate [Na5(H2O)18{(HOCH2)2CHNH3}2][SbW6O242
Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin2
Two new cadmium(II) coordination polymers based on imidazole-containing ligands: synthesis, structural characterization and fluorescence properties2
Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands2
A new ladder-type silver(I) coordination polymer with 4,4′-bipyridine and 4-[(4-carboxybenzyloxy)methyl]benzoate ligands: synthesis, crystal structure, fluorescence properties and Hirshfeld surface an2
High-resolution structural study on pyridin-3-yl ebselen and its N-methylated tosylate and iodide derivatives2
Removing the C-terminal protecting group enlarges the crystal size: Z–(Gly–Aib)2–OH·H2O2
Structural studies of various olmesartan solvates2
The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives2
Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors2
Ammonium bis(salicylaldehyde thiosemicarbazonato)ferrate(III), a supramolecular material containing low-spin FeIII2
Crystal structure of a calcium(II)–pyrroloquinoline quinone (PQQ) complex outside a protein environment2
Ψ-Polyhedral symbols for coordination geometries of lead(II) with a stereochemically active lone pair2
Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6(1H2
Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties2
Structural, spectroscopic and DFT theoretical studies of phosphorescent CuIP2S-containing cuprous complexes2
Halogen, chalcogen, and hydrogen bonding in organoiodine cocrystals of heterocyclic thiones: imidazolidine-2-thione, 2-mercaptobenzimidazole, 2-mercapto-5-methylbenzimidazole, 2-mercaptobenzoxazole, a2
Structural investigations into a new polymorph of F4TCNQ: towards enhanced semiconductor properties2
Syntheses, structures and magnetic properties of two CoII/NiII isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand2
Structures of five salt forms of disulfonated monoazo dyes2
Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides2
Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate: preparation, structure and spectroscopic analysis2
Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride2
The dehydration process in the DL-phenylglycinium trifluoromethanesulfonate monohydrate crystal revealed by XRD, vibrational and DSC studies2
Salts of purine alkaloids caffeine and theobromine with 2,6-dihydroxybenzoic acid as coformer: structural, theoretical, thermal and spectroscopic studies2
Solvent influence on the crystal packing of 6-aminothiocytosine2
Synthesis, and spectroscopic and structural characterization of three new styrylquinoline–benzimidazole hybrids2
A cadmium(II) coordination polymer with a fivefold interpenetrating diamondoid three-dimensional framework: synthesis, crystal structure, luminescence and photocatalytic properties2
Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)2
A new hydrate of magnesium carbonate, MgCO3·6H2O2
A twofold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties2
Ab initio calculation of mechanical, electronic and optical characteristics of chalcogenide perovskite BaZrS3 at high pressures2
Syntheses and solid-state structures of two cofacial (bis)dipyrrin dichromium complexes in different charge states2
A two-dimensional organic–inorganic lead iodide perovskite: poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]2