Fabbiani, Francesca P. A.

[["dc.bibliographiccitation.firstpage","3875"],["dc.bibliographiccitation.issue","8"],["dc.bibliographiccitation.journal","Crystal Growth & Design"],["dc.bibliographiccitation.lastpage","3884"],["dc.bibliographiccitation.volume","15"],["dc.contributor.author","Saouane, Sofiane"],["dc.contributor.author","Fabbiani, Francesca P. A."],["dc.date.accessioned","2018-11-07T09:53:48Z"],["dc.date.available","2018-11-07T09:53:48Z"],["dc.date.issued","2015"],["dc.description.abstract","The structural behavior a long-chain imidazolium-based ionic liquid [C(10)mim]Cl-water mixtures has been HP investigated in detail by low-teruperature arid high-pressure crystallization methods, and the solid forms have been fully characterized by single-crystal X-ray diffraction. Form I, a monohydrate, crystallizes from solutions containing 6-8% (w/w) water; its structure exhibits bilayers, in which the cations alternate from layer to layer to create hydrophobic and hydrophilic regions. Form II, which is a Z' > 1 structure, incorporates a variable amount of water content (from pseudo-hemihydrate to pseudo-monohydrate) depending on the sample treatment and environment; this form crystallizes from solutions containing < ca. 6% (w/w) water and exhibits a double bilayered structure characterized by ordered and disordered regions. Forms I and II have been obtained at both low-temperature and high-pressure conditions. Form III is a trihydrate that has been exclusively obtained under high-pressure conditions above 0.55 GPa from solutions containing >80% (w/w) water. This structure is closely related -to that of-form I. While homeotypic and isotypic structures of forms I and II have been previously reported, form III represents, to the best of our knowledge, the only example of a highly hydrated long-chain imidazolium-based ionic liquid isolated in the solid state. The formation of mesophases in the title compound has also been investigated by polarized optical microscopy, and the results were correlated with previous liquid-crystal Studies on related compounds."],["dc.description.sponsorship","DFG (Emmy Noether Grant) [FA 946/1-1]"],["dc.identifier.doi","10.1021/acs.cgd.5b00494"],["dc.identifier.isi","000359278800042"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/36403"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","1528-7505"],["dc.relation.issn","1528-7483"],["dc.title","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C(10)mim]Cl-Water Mixtures"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1238"],["dc.bibliographiccitation.journal","ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS"],["dc.bibliographiccitation.lastpage","+"],["dc.bibliographiccitation.volume","69"],["dc.contributor.author","Saouane, Sofiane"],["dc.contributor.author","Buth, Gernot"],["dc.contributor.author","Fabbiani, Francesca P. A."],["dc.date.accessioned","2018-11-07T09:18:04Z"],["dc.date.available","2018-11-07T09:18:04Z"],["dc.date.issued","2013"],["dc.description.abstract","The X-ray single-crystal structure of (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, commonly known as (+)-6-aminopenicillanic acid (C8H12N2O3S) and a precursor of a variety of semi-synthetic penicillins, has been determined from synchrotron data at 150K. The structure represents an ordered zwitterion and the crystals are nonmerohedrally twinned. The crystal structure is composed of a three-dimensional network built by three charge-assisted hydrogen bonds between the ammonium and carboxylate groups. The complementary analysis of the crystal packing by the PIXEL method brings to light the nature and ranking of the energetically most stabilizing intermolecular interaction energies. In accordance with the zwitterionic nature of the structure, PIXEL lattice energy calculations confirm the predominance of the Coulombic term (-379.1kJmol-1) ahead of the polarization (-141.4kJmol-1), dispersion (-133.7kJmol-1) and repulsion (266.3kJmol-1) contributions."],["dc.identifier.doi","10.1107/S0108270113025924"],["dc.identifier.isi","000326651300009"],["dc.identifier.pmid","24192166"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/28321"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Wiley-blackwell"],["dc.relation.issn","1600-5759"],["dc.relation.issn","0108-2701"],["dc.title","Crystal structure and packing energy calculations of (+)-6-aminopenicillanic acid"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","2"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Crystals"],["dc.bibliographiccitation.volume","6"],["dc.contributor.author","Saouane, Sofiane"],["dc.contributor.author","Fabbiani, Francesca P. A."],["dc.date.accessioned","2018-11-07T10:21:05Z"],["dc.date.available","2018-11-07T10:21:05Z"],["dc.date.issued","2016"],["dc.description.abstract","This paper reports a new packing type of -cyclodextrin inclusion complexes, obtained here with succinic acid under low-temperature crystallization conditions. The structure of the 1:1 complex is characterized by heavy disorder of the guest, the solvent, and part of the host. The crystal packing belongs to the known channel-type structure; the basic structural unit is composed of cyclodextrin trimers, as opposed to the known isolated molecular or dimeric constructs, packed along the c-axis. Each trimer is made of crystallographically independent molecules assembled in a stacked vase-like cluster. A multi-temperature single-crystal X-ray diffraction analysis reveals the presence of dynamic disorder."],["dc.description.sponsorship","German Science Foundation (DFG) [FA 946/1-1]"],["dc.identifier.doi","10.3390/cryst6010002"],["dc.identifier.isi","000369512000001"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/12780"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/42023"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Mdpi Ag"],["dc.relation.issn","2073-4352"],["dc.rights","CC BY 4.0"],["dc.rights.uri","https://creativecommons.org/licenses/by/4.0/"],["dc.title","Structural Elucidation of alpha-Cyclodextrin-Succinic Acid Pseudo Dodecahydrate: Expanding the Packing Types of alpha-Cyclodextrin Inclusion Complexes"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","8664"],["dc.bibliographiccitation.issue","24"],["dc.bibliographiccitation.journal","CrystEngComm"],["dc.bibliographiccitation.lastpage","8670"],["dc.bibliographiccitation.volume","14"],["dc.contributor.author","Granero-Garcia, Ruben"],["dc.contributor.author","Lahoz, Fernando J."],["dc.contributor.author","Paulmann, Carsten"],["dc.contributor.author","Saouane, Sofiane"],["dc.contributor.author","Fabbiani, Francesca P. A."],["dc.date.accessioned","2018-11-07T09:14:43Z"],["dc.date.available","2018-11-07T09:14:43Z"],["dc.date.issued","2012"],["dc.description.abstract","The technique of high-pressure crystallisation from solution has been applied to the study of alpha-cyclodextrin hydrate formation. A previously unobserved hydrate, here termed Ib, has been obtained at 0.65 GPa and characterised by single-crystal X-ray diffraction using synchrotron radiation. This form exhibits a combination of structural features of other known hydrates and hydration states obtained by theoretical calculations but never found experimentally before."],["dc.identifier.doi","10.1039/c2ce26362a"],["dc.identifier.isi","000311969400052"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/27484"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1466-8033"],["dc.title","A novel hydrate of alpha-cyclodextrin crystallised under high-pressure conditions"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1270"],["dc.bibliographiccitation.issue","3"],["dc.bibliographiccitation.journal","Chemical Science"],["dc.bibliographiccitation.lastpage","1280"],["dc.bibliographiccitation.volume","4"],["dc.contributor.author","Saouane, Sofiane"],["dc.contributor.author","Norman, Sarah E."],["dc.contributor.author","Hardacre, Christopher"],["dc.contributor.author","Fabbiani, Francesca P. A."],["dc.date.accessioned","2018-11-07T09:30:23Z"],["dc.date.available","2018-11-07T09:30:23Z"],["dc.date.issued","2013"],["dc.description.abstract","The solid-state polymorphism of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate, [bmim][PF6], has been investigated via low-temperature and high-pressure crystallisation experiments. The samples have been characterised by single-crystal X-ray diffraction, optical microscopy and Raman spectroscopy. The solid-state phase behaviour of the compound is confirmed and clarified with respect to previous phase diagrams. The structures of the previously reported gamma-form, which essentially exhibits a G'T cation conformation, as well as those of the elusive beta- and alpha-forms, are reported. Crystals of the beta-phase are twinned and the structure is heavily disordered; the cation conformation in this form is predominantly TT, though significant contributions from other less frequently encountered conformers are also observed at low temperature and high pressure. The cation conformation in the alpha-form is GT; the presence of the G'T conformer at 193 K in this phase can be eliminated on cooling to 100 K. Whilst X-ray structural data are overall in good agreement with previous interpretations based on Raman and NMR studies, they also reveal a more subtle interplay of intermolecular interactions, which give rise to a wider range of conformers than previously considered."],["dc.identifier.doi","10.1039/c2sc21959j"],["dc.identifier.isi","000314474900051"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/10475"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/31293"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","2041-6520"],["dc.relation.orgunit","Fakultät für Geowissenschaften und Geographie"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]