Petra Bombicz

HUN-REN Research Centre for Natural Sciences

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Laura Bereczki

HUN-REN Research Centre for Natural Sciences

Nóra V. May

HUN-REN Research Centre for Natural Sciences

Wilhelm Seichter

TU Bergakademie Freiberg

Tamás Holczbauer

HUN-REN Research Centre for Natural Sciences

G. Tamás Gál

HUN-REN Research Centre for Natural Sciences

E. Weber

Environmental Protection Agency

Tobias Gruber

Martin Luther University Halle-Wittenberg

Alajos Kálmán

HUN-REN Research Centre for Natural Sciences

Valerio Di Marco

University of Padua

Mátyás Czugler

Budapest University of Technology and Economics

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Budapest University of Technology and Economics

102

Hungarian Academy of Sciences

100

HUN-REN Research Centre for Natural Sciences

Eötvös Loránd University

Budapest Institute

Institute of Organic Chemistry

Institute of Materials and Environmental Chemistry

University of Szeged

First Technical University

University of Debrecen

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Investigation of sublimation with and without dissociation in the chloride and nitrate salts of 4-(1-hydroxy-1,2-diphenylethyl)pyridine

New Journal of Chemistry (2009)

Nikoletta B. Báthori Petra Bombicz Susan A. Bourne Gerhard A. Venter

We observed sublimation–dissociation and recrystallization under ambient pressure when a single crystal of 1H+·Cl− (4-(1-hydroxy-1,2-diphenylethyl)pyridinium chloride) was heated. The native organic moiety (1) crystallized on the mother crystal on distinct surfaces, providing an excellent example of molecular structure–macroscopical property relationship which can be explained by partial isostructurality. Under similar conditions the nitrate salt of the same compound, 1H+·NO3− (4-(1-hydroxy-1,2-diphenylethyl)pyridinium nitrate), sublimed and recrystallized without dissociation. The two crystal structures of the salts are isostructural, but Hirshfeld surface analysis shows significant differences between the intermolecular interactions which explain their different thermal behavior in the crystalline phase. Computational studies in the gas phase provide a theoretical understanding of the solid state behavior.

Sublimation

Isostructural

Recrystallization (geology)

Moiety

10.1039/b9nj00411d

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Citations (3)

Odd−Even Effects in Supramolecular Assemblies of Diamide Bolaamphiphiles

Langmuir (2000)

Johannes Schneider Christian Messerschmidt Andrea Schulz Michael Gnade Boris Schade

Bolaamphiphiles (“bolas”) containing two secondary amide groups at the ends of an oligomethylene chain and two amino acid type headgroups were synthesized. The structures of crystals, of noncovalent fibers, and of surface monolayers on gold strongly depended on odd−even effects. In the crystal structures of alanine−alanine dipeptides with C11- and C12-α,ω-amino acid linkers, helical (even number of methylene groups in the chain) or sheetlike (odd) arrangements of the headgroups were found. Bolas containing two different amino acid end groups, namely, d- or l-alanine and l-lysine, connected by the same C11- and C12 linkers did not crystallize. Only the even-numbered bolas gave fibers. l- and d- configurations of alanine headgroups affected the curvature of the fibers. Diamido bolas with terminal SH-groups self-assembled on gold. Only those with even-numbered chains gave rigid monolayers. Simple stereochemical arguments concerning the fitting of amide hydrogen bond chains on both ends of the bolas are given...

10.1021/la000086+

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Citations (51)

Co-crystal of (R,R)-1,2-cyclohexanediol with (R,R)-tartaric acid, a key structure in resolution of the (±)-trans-diol by supercritical extraction, and the related ternary phase system

Thermochimica Acta (2009)

Paul Thorey Petra Bombicz Imre Miklós Szilágyi Péter Molnár György Bánsághi

Orthorhombic crystal system

Tartaric acid

Crystal (programming language)

10.1016/j.tca.2009.09.001

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Citations (30)

CCDC 755236: Experimental Crystal Structure Determination

The Cambridge Structural Database (2010)

Smilja Marković Milan D. Joksović Petra Bombicz Vukadin M. Leovac Vladimir Marković

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/cctbwgg

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Which one is the right space group?

Acta Crystallographica Section A Foundations and Advances (2024)

Laura Bereczki Kende Attila Béres Éva Kováts Petra Bombicz László Kótai

10.1107/s2053273324093781

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The effect of high pressure on the crystal structure of organocatalysts

Acta Crystallographica Section A Foundations and Advances (2024)

Sourav De Szymon Sobczak Paulina Ratajczyk Natalia Sacharczuk Tibor Soós