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Structural Chemistry (@ActaCrystC) profile picture

Structural Chemistry

@ActaCrystC

Acta Crystallographica Section C, an IUCr journal, reports exciting science with structural content and important results relating to the chemical sciences

 Chester, England
journals.iucr.org/c
Joined May 2012
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September issue @ActaCrystC The cover article reports the first example of the stereochemically active and inactive 6s2 lone pair for a lead(II) complex #crystalstructure #lead #antipyrine #DFT #crystallography journals.iucr.org/c/issues/2…
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July issue @ActaCrystC The cover article reports the structures of late first-row transition-metal (Ni, Cu, and Zn) complexes of salophen derivatives @SCU_ChemBiochem @SantaClaraUniv @ChemistryUD @UDelaware #salen #salophen #CURE @IUCr #crystallography journals.iucr.org/c/issues/2…
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August issue @ActaCrystC The cover article reports on the effect of molecular perturbation on cocrystal formation #crystalstructure #cocrystal #alkaloid #flavonoid #theophylline #hydrogenbond #myricetin #kaempferol @hkust @IUCr #crystallography #openaccess journals.iucr.org/c/issues/2…
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Structural Chemistry retweeted
Naruhiko Adachi (@NaruhikoAdachi) profile picture
Naruhiko Adachi@NaruhikoAdachiJun 22
Our 4th paper from the #MicroED facility at #TsukubaUniv is now published! A great collaboration with Prof. Yusuke Yamada on Semi-automated 3DED/MicroED system and Prof. Goda on fish-derived crystals. Nakazawa-kun, Hayashi-kun, and Tanaka-kun, congrats! journals.iucr.org/c/issues/2…
Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals

Semi-automated MicroED system unveils multiple polymorphs in fish-derived guanine crystals

A semi-automated MicroED data col­lection and processing system was established and shown to be suitable for the structural investigation of submicrometer-scale biogenic crystals.

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Visualizing and teaching crystallographic symmetry using Jmol @ActaCrystC doi.org/10.1107/S20532296260… @OtterbeinStem @StOlaf #Jmol #SpaceGroup #Symmetry #Visualizer #symmetry #visualization #openaccess @IUCr #crystallography
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May issue @ActaCrystC The cover article reports on various salt and hydrate forms of famotidine, an API used to treat GERD @NotreDame @NDscience @UNDResearch #openaccess #crystallography #PADs #API @IUCr #GERD #gastroesophageal journals.iucr.org/c/issues/2… #openaccess
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Ben et al.: Hydrogen-bonding functionalities of selected azole drugs in multicom­ponent crystals with tri­thio­cyanuric acid #CrystalStructure #Imidazole #Triazole ... #IUCr journals.iucr.org/paper?S205…
Hydrogen-bonding functionalities of selected azole drugs in multicom­ponent crystals with tri­thi...

Hydrogen-bonding functionalities of selected azole drugs in multicom­ponent crystals with tri­thi...

The supra­molecular architectures of five azole active pharmaceutical ingredients (econazole, luliconazole, isavuconazole, voriconazole and posaconazole) with tri­thio­cyanuric acid have been...

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Palme et al.: Nucleophilic substitution of a phthalimidyl group with morpholine in an N1-methyl-1,2,3-triazole: crystallographic evidence for migration of the methyl­ene bridge #DipolarCycloaddition #ClickChemistry ... #IUCr journals.iucr.org/paper?S205…
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M​ateja-Pluta et al.: Towards the design of ionic traps incorporating thermo­labile units: structural characterization of copper(II), palladium(II) and rhodium(II) com­plexes with t... #IUCr journals.iucr.org/paper?S205…
Towards the design of ionic traps incorporating thermo­labile units: structural characterization of...

Towards the design of ionic traps incorporating thermo­labile units: structural characterization of...

Single-crystal X-ray diffraction studies of Cu, Pd and Rh com­plexes with 2-(pyridin-2-yl­amino)­ethanol (L1) revealed how ligand flexibility governs coordination geometry, supra­molecular organiza...

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Wu et al.: A new nickel coordination polymer electrode material for hybrid supercapacitors #CrystalStructure #NickelCoordinationPolymer #ElectrodeMaterial ... #IUCr journals.iucr.org/paper?S205…
A new nickel coordination polymer electrode material for hybrid supercapacitors

A new nickel coordination polymer electrode material for hybrid supercapacitors

A new nickel coordination polymer electrode material for hybrid supercapacitors, Ni–mba–K(Na) (where H2mba is 2-mercapto­benzoic acid), has been prepared successfully. As a hybrid capacitor electrode...

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Ivlev et al.: Preparation and powder X-ray diffraction study of tecovirimat hydrate solid forms #CrystalStructure #CrystalPolymorphism #Tecovirimat ... #IUCr journals.iucr.org/paper?S205…
Preparation and powder X-ray diffraction study of tecovirimat hydrate solid forms

Preparation and powder X-ray diffraction study of tecovirimat hydrate solid forms

Methods for the reproducible preparation of three hydrated solid forms of the anti­viral com­pound tecovirimat (forms I, III and V) are presented and their phase purity was verified by powder X-ray...

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March issue @ActaCrystC The cover article reports the effects of protonation in salt forms of a thioamide @UniStrathclyde @StrathScience @UniStrathLibIT #pharmaceutical #salt #protonation #protonated #carbocation @IUCr #crystallography #openaccess journals.iucr.org/c/issues/2…
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Structural Chemistry retweeted
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Wiley Chemistry@Wiley_ChemistryFeb 20
A molecule of sparsentan displaying a complex disorder of multiple sections was modelled and interpreted with the assistance of energy calculations. ow.ly/mQx950Y4vN2 @ActaCrystC @IUCr #CrystalStructure #Disorder #EnergyCalculations
The disordered structure of sparsentan

ALT The disordered structure of sparsentan

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Structural Chemistry retweeted
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Wiley Chemistry@Wiley_ChemistryFeb 23
Journal Highlights: Ce, Gd and Yb accumulation in microalgae: an L-edge XAS study Read now: ow.ly/HK0o50Y4vJY @ActaCrystC @IUCr #CrystalStructure #Lanthanide #XAFS
Ce, Gd and Yb accumulation in microalgae

ALT Ce, Gd and Yb accumulation in microalgae

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Structural Chemistry retweeted
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Wiley Chemistry@Wiley_ChemistryFeb 26
The crystal structures of two closely related N-arylbenzamides were determined experimentally using single-crystal X-ray diffraction. Read more: ow.ly/qxRN50Y4vIG @ActaCrystC @IUCr #CrystalStructure #Disorder #MolecularInteractionEnergies
An energetic study of two N-aryl benzamides

ALT An energetic study of two N-aryl benzamides

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Bhatt et al.: Room-tem­per­a­ture crystal structures of [CH(NH2)2]3Sb2X9 (X = Br and I) #CrystalStructure #HalidePerovskite #Crystallography ... #IUCr journals.iucr.org/paper?S205…
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D​onnachie et al.: Salt forms of a thio­amide: protonation of 1-(2,6-di­methyl­phen­yl)thio­urea #CrystalStructure #Pharmaceutical #SaltSelection ... #IUCr journals.iucr.org/paper?S205…
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Yin et al.: Chiral three-dimensional cadmium(II)-based coordination polymer constructed from a lactic acid derivative: synthesis, structure and properties #ChiralCoordinationPolymer #LacticAcidDerivative ... #IUCr journals.iucr.org/paper?S205…
Chiral three-dimensional cadmium(II)-based coordination polymer constructed from a lactic acid...

Chiral three-dimensional cadmium(II)-based coordination polymer constructed from a lactic acid...

In the presence of pyrazine (pyr), the self-assembly reaction of (R)-5-(1-carb­oxy­eth­oxy)isophthalic acid, (R)-H3cia, with CdII ions constructed a three-dimensional framework [Cd3{(R)-cia}2(pyr)(...

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Geng et al.: Effect of counteranions on the crystal structures of ZnII coordination polymers with 1,3-bis­(1H-imidazol-1-yl)benzene #CoordinationPolymers #CrystalStructure #HybridIons ... #IUCr journals.iucr.org/paper?S205…
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Olczak et al.: Structural and biological aspects of (tert-but­oxy­carbonyl­amino)­propyl­phospho­nate derivatives #TertButoxycarbonylaminoPropylphos­pho­nate #AntibacterialActivity #Enantiomer ... #IUCr journals.iucr.org/paper?S205…
Structural and biological aspects of (tert-but­oxy­carbonyl­amino)­propyl­phospho­nate derivatives

Structural and biological aspects of (tert-but­oxy­carbonyl­amino)­propyl­phospho­nate derivatives

Three derivatives of (tert-but­oxy­carbonyl­amino)­propyl­phospho­nate were analyzed in terms of pharmacokinetic, structural and anti­bacterial activity.

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