Search results for "yksikideröntgendiffraktiotutkimus"

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4,4-Di-fluoro-2,3;5,6-bis-(tetra-methylene)-4-bora-3a,4a-di-aza-s-indacene (LD540).

2014

The title compound, C18H21BF2N2, is a lipophilic dye based on a BODIPY fluorophore backbone, which was developed for microscopic imaging of lipid droplets; the molecule has a planar BODIPY core [dihedral angle between the pyrrole rings = 2.3 (3)°] and two tetramethylene substituents at the 2,3- and 5,6-positions in a half-chair conformation. One of the tetramethylene substituents is disordered over two two sets of sites with site occupancies of 0.5. In the crystal, pairs of C—H...F interactions link the molecules into inversion dimers. Neighbouring dimers are linked by further C—H...F interactions, forming an infinite array. C—H...π and π–π [centroid–centroid distance = 4.360 (3) Å] interac…

BODIBYDimerDihedral angleBioinformaticsOrganic PapersCrystallcsh:Chemistrychemistry.chemical_compoundBODIPYlipophilic dyesingle-crystal X-ray studyGeneral Materials Scienceta116Pyrrolelipofiilinen väriaineyksikideröntgendiffraktiotutkimusbiologyGeneral ChemistryCondensed Matter Physicsbiology.organism_classificationLD540Crystallographychemistrylcsh:QD1-999Microscopic imagingTetraBODIPYActa crystallographica. Section E, Structure reports online
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6-Amino-2-(pivaloylamino)pyridinium benzoate

2013

In the crystal structure of the title salt, C10H16N3O+·C7H5O2−, the cations and anions are linked to each other via N—H⋯O hydrogen bonds, forming infinite chains running along [010]. The crystal structure also features C—H⋯O and π–π stacking inter­actions, which assemble the chains into supra­molecular layers parallel to (100). The π–π stacking inter­actions are observed between the pyridine rings of inversion-related cations with a centroid–centroid distance of 3.867 (2) Å. Financial support from the National Science Centre in Kraków (grant No. NCN204 356840) is gratefully acknowledged. Academy Professor Kari Rissanen (Academy of Finland grant Nos. 122350, 140718, 265328 and 263256) and th…

mean (C–C) = 0.003 A˚StackingSalt (chemistry)Crystal structureT = 123 KBioinformaticsOrganic Paperschemistry.chemical_compoundwR factor = 0.141Pyridinesingle-crystal X-ray study6-Amino-2-(pivaloylamino)pyridinium benzoateGeneral Materials Science6-amino-2-(pivaloyyli)pyridiniumbentsoaattita116chemistry.chemical_classificationyksikideröntgendiffraktiotutkimusCrystallographyHydrogen bond6-amino-2-(pivaloyyli)pyridiinibentsoehappo6-amino-2-(pivaloylamino)pyridineR factor = 0.066General ChemistryCondensed Matter PhysicsCrystallographydata-to-parameter ratio = 16.9chemistryQD901-999PyridiniumActa Crystallographica Section E-Structure Reports Online
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