tag :: crystal-structure

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1Conformational Change in Molecular Crystals: Impact of Solvate Formation and Importance of Conformational Free Energies
S. Wright, J. Cole, and A. Cruz-Cabeza. (October 2021)
3 years ago by @fairybasslet
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Conformational-transitions
Crystal-structure
Molecular-structure
Solvates
Solvents
Conformational-transitionsCrystal-structureMolecular-structureSolvatesSolvents
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1H-1 and C-13 Nmr Spectral Assignments and X-Ray Crystallography of 4,5,8,12b-Tetrahydro-Isoindolo1,2-aIsoquinoline and Derivatives
V. Castro-Castillo, A. Galdamez, M. Rebolledo-Fuentes, and B. Cassels. Journal of the Chilean Chemical Society, 57 (1): 972-976 (2012)
5 years ago by @dqcauchile
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crystal-structure
dqcauchile
crystal-structuredqcauchile
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1Synthesis of Novel P-Tert-Butylcalix4Arene Derivative: Structural Characterization of a Methanol Inclusion Compound
S. Moris, A. Galdamez, P. Jara, and C. Saitz-Barria. Crystals, (2016)
5 years ago by @dqcauchile
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calix[4]arene,
crystal
crystal-structure
dqcauchile
structure,
synthesis,
calix[4]arene,crystalcrystal-structuredqcauchilestructure,synthesis,
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14-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction
H. Zhao, A. Bodach, M. Heine, Y. Krysiak, J. Glinnemann, E. Alig, L. Fink, and M. Schmidt. CrystEngComm, 19 (16): 2216--2228 (2017)
6 years ago by @fairybasslet
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4-cyanopyridine
coordination-polymers
crystal-structure
xrpd
4-cyanopyridinecoordination-polymerscrystal-structurexrpd
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1Quinolinium fumarate
N. Shan, E. Batchelor, and W. Jones. Acta Crystallographica Section E, 59 (4): o397--o398 (2003)
6 years ago by @fairybasslet
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crystal-structure
oclcml
quinolinium-fumarate
crystal-structureoclcmlquinolinium-fumarate
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1Exploration and synthesis of condensed coordination networks with modified magnetic properties
S. Wöhlert, L. Fink, M. Schmidt, and C. Näther. CrystEngComm, 15 (5): 945--957 (2013)
6 years ago by @fairybasslet
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coordination-polymers
crystal-structure
magnetic-properties
coordination-polymerscrystal-structuremagnetic-properties
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1Similarities and differences in the crystal packing of halogen-substituted indole derivatives
R. Shukla, P. Singh, P. Panini, D. Chopra, and IUCr. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 74 (4): 376--384 (Aug 1, 2018)
6 years ago by @fairybasslet
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crystal-structure
halogenated-carbazoles
hydrogen-bonds
indole-derivatives
intermolecular-interactions
isostructurality
lattice-energy
litwatch
qtaim
structural-diversity
crystal-structurehalogenated-carbazoleshydrogen-bondsindole-derivativesintermolecular-interactionsisostructuralitylattice-energylitwatchqtaimstructural-diversity
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1Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction
T. Gorelik, J. van de Streek, H. Meier, L. Andernach, T. Opatz, and IUCr. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 74 (3): 287--294 (Jun 1, 2018)
6 years ago by @fairybasslet
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crystal-structure
litwatch
single-crystal-three-dimensional-electron-diffraction
triazine
xrpd
crystal-structurelitwatchsingle-crystal-three-dimensional-electron-diffractiontriazinexrpd
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1The PO13 crystal structure of ROY
K. Gushurst, J. Nyman, and S. Boerrigter. CrystEngComm, (2019)
6 years ago by @fairybasslet
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crystal-structure
organic-pigments
po13
roy
xrpd
crystal-structureorganic-pigmentspo13royxrpd
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1Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder
B. Dittrich, F. Fabbiani, J. Henn, M. Schmidt, P. Macchi, K. Meindl, and M. Spackman. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 74 (5): 416--426 (Aug 23, 2018)
6 years ago by @fairybasslet
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azulene
crystal-structure
disorder
invariom-modeling
lattice-energy-minimization
azulenecrystal-structuredisorderinvariom-modelinglattice-energy-minimization
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1Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations
J. van de Streek, M. Neumann, and IUCr. Acta Crystallographica Section B: Structural Science, 66 (5): 544--558 (Oct 1, 2010)
6 years ago by @fairybasslet
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crystal-structure
d-dft
crystal-structured-dft
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1Twenty years of crystal structure publication and the road ahead
H. Huppertz, and G. Reiss. Zeitschrift für Kristallographie - New Crystal Structures, 232 (1): 1--2 (Jan 1, 2017)
6 years ago by @fairybasslet
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crystal-structure
publication
crystal-structurepublication
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1Method of crystal-structure similarity searching
A. Dzyabchenko. Acta Cryst. B, 50 (4): 414--425 (1994)
6 years ago by @fairybasslet
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*file-import-13-09-19
computer-program
cpsst
crystal-structure
similarity
*file-import-13-09-19computer-programcpsstcrystal-structuresimilarity
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3Crystal structures of ordered and plastic-crystalline phases of iso-butyllithium by X-ray powder diffraction
A. Bodach, L. Fink, and M. Schmidt. Chemical Communications, (Sep 7, 2018)
6 years ago by @fairybasslet
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crystal-structure
iso-butyllithium
xrpd
crystal-structureiso-butyllithiumxrpd
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1OChemDb: the free online Open Chemistry Database portal for searching and analysing crystal structure information
A. Altomare, N. Corriero, C. Cuocci, A. Falcicchio, A. Moliterni, R. Rizzi, and IUCr. Journal of Applied Crystallography, 51 (4): 1229--1236 (Aug 1, 2018)
6 years ago by @fairybasslet
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crystal-structure
ochemdb
open-chemistry-database
crystal-structureochemdbopen-chemistry-database
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1A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate
P. Gazta\ naga, R. Baggio, D. Vega, and IUCr. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 74 (3): 304--310 (Jun 1, 2018)
6 years ago by @fairybasslet
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active-pharmaceutical-ingredient
crystal-structure
hydrates
litwatch
pridinol-mesylate
rate-dependent-dehydration
active-pharmaceutical-ingredientcrystal-structurehydrateslitwatchpridinol-mesylaterate-dependent-dehydration
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14,4'-Diazenediylbis(1,4-phenylene)bis(carbonyloxy)bis(2,2,6,6-tetramethylpiperidinyloxidanyl): the first crystal structure determination from powder data of a nitroxide radical
S. Bekö, S. Thoms, and M. Schmidt. Acta Crystallographica Section C, 69 (12): 0 (December 2013)
6 years ago by @fairybasslet
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crystal-structure
nitroxide-radical
peldor-spectroscopy
powder-data
crystal-structurenitroxide-radicalpeldor-spectroscopypowder-data
(0)
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1Local structure in the disordered solid solution of cis- and trans-perinones
J. Teteruk, J. Glinnemann, W. Heyse, K. Johansson, J. van de Streek, M. Schmidt, and IUCr. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 72 (3): 416--433 (Jun 1, 2016)
6 years ago by @fairybasslet
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crystal-structure
disorder
perinones
crystal-structuredisorderperinones
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1Crystalline structure of the marketed form of Rifampicin: a case of conformational and charge transfer polymorphism
L. de Pinho Pessoa Nogueira, Y. de Oliveira, De, W. Costa, F. Raffin, J. Ellena, and A. Ayala. Journal of Molecular Structure, (March 2018)
6 years ago by @fairybasslet
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charge-transfer-polymorphism
conformational-polymorphism
crystal-structure
polymorphism
rifampicin
charge-transfer-polymorphismconformational-polymorphismcrystal-structurepolymorphismrifampicin
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1Crystal structures of quinacridones
E. Paulus, F. Leusen, and M. Schmidt. CrystEngComm, 9 (2): 131--143 (2007)
6 years ago by @fairybasslet
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chinacridon
crystal-structure
chinacridoncrystal-structure
(0)
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1Conformational Change in Molecular Crystals: Impact of Solvate Formation and Importance of Conformational Free Energies

1H-1 and C-13 Nmr Spectral Assignments and X-Ray Crystallography of 4,5,8,12b-Tetrahydro-Isoindolo1,2-aIsoquinoline and Derivatives

1Synthesis of Novel P-Tert-Butylcalix4Arene Derivative: Structural Characterization of a Methanol Inclusion Compound

14-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction

1Quinolinium fumarate

1Exploration and synthesis of condensed coordination networks with modified magnetic properties

1Similarities and differences in the crystal packing of halogen-substituted indole derivatives

1Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction

1The PO13 crystal structure of ROY

1Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder

1Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations

1Twenty years of crystal structure publication and the road ahead

1Method of crystal-structure similarity searching

3Crystal structures of ordered and plastic-crystalline phases of iso-butyllithium by X-ray powder diffraction

1OChemDb: the free online Open Chemistry Database portal for searching and analysing crystal structure information

1A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate

14,4'-Diazenediylbis(1,4-phenylene)bis(carbonyloxy)bis(2,2,6,6-tetramethylpiperidinyloxidanyl): the first crystal structure determination from powder data of a nitroxide radical

1Local structure in the disordered solid solution of cis- and trans-perinones

1Crystalline structure of the marketed form of Rifampicin: a case of conformational and charge transfer polymorphism

1Crystal structures of quinacridones

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