Sowa, Heidrun

[["dc.bibliographiccitation.firstpage","1396"],["dc.bibliographiccitation.issue","7"],["dc.bibliographiccitation.journal","CrystEngComm"],["dc.bibliographiccitation.lastpage","1406"],["dc.bibliographiccitation.volume","11"],["dc.contributor.author","Fabbiani, Francesca P. A."],["dc.contributor.author","Dittrich, Birger"],["dc.contributor.author","Florence, Alastair J."],["dc.contributor.author","Gelbrich, Thomas"],["dc.contributor.author","Hursthouse, Michael B."],["dc.contributor.author","Kuhs, Werner F."],["dc.contributor.author","Shankland, Norman"],["dc.contributor.author","Sowa, Heidrun"],["dc.date.accessioned","2018-11-07T08:34:18Z"],["dc.date.available","2018-11-07T08:34:18Z"],["dc.date.issued","2009"],["dc.description.abstract","Two novel sodium salts of the antibiotic ciprofloxacin were crystallised at pressures of 0.25 and 0.6 GPa and subsequently recovered to ambient pressure. The structures are the first reported examples of ciprofloxacin chelating a Group I Lambda monovalent cation. Ambient-pressure crystallisation of the same solution used for high-pressure experiments, yielded crystals of the known hexahydrate. In a parallel study, the previously unknown structure of anhydrous ciprofloxacin was determined from powder diffraction data. The structures are described and compared using the XPac method."],["dc.description.sponsorship","Alexander von Humboldt Foundation"],["dc.identifier.doi","10.1039/b822987b"],["dc.identifier.isi","000267920400036"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/17779"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1466-8033"],["dc.title","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","O120"],["dc.bibliographiccitation.journal","Acta Crystallographica Section C Structural Chemistry"],["dc.bibliographiccitation.lastpage","O124"],["dc.bibliographiccitation.volume","67"],["dc.contributor.author","Fabbiani, Francesca P. A."],["dc.contributor.author","Arlin, Jean-Baptiste"],["dc.contributor.author","Buth, Gernot"],["dc.contributor.author","Dittrich, Birger"],["dc.contributor.author","Florence, Alastair J."],["dc.contributor.author","Herbst-Irmer, Regine"],["dc.contributor.author","Sowa, Heidrun"],["dc.date.accessioned","2018-11-07T08:58:41Z"],["dc.date.available","2018-11-07T08:58:41Z"],["dc.date.issued","2011"],["dc.description.abstract","The antibiotic ciprofloxacin [systematic name: 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate], has been crystallized as a 2:3 solvate with 2,2-difluoroethanol, 2C(17)H(18)FN(3)O(3)center dot 3C(2)H(4)O(2), (I), and as a 3:14.5 hydrate, 3C(17)H(18)FN(3)O(3)center dot 14.5H(2)O, (II). The structure of (I) was determined using synchrotron X-ray diffraction data and refined as a two-component nonmerohedral twin. Both structures contain several independent molecules in the asymmetric unit: (I) contains two zwitterionic ciprofloxacin molecules and three difluoroethanol solvent molecules, while (II) contains three zwitterionic ciprofloxacin molecules and a mixture of ordered and disordered water molecules. The intermolecular interactions were analysed using fingerprint plots derived from Hirshfeld surfaces, providing a detailed description of the unique environment of each independent ciprofloxacin molecule."],["dc.identifier.doi","10.1107/S0108270111005488"],["dc.identifier.isi","000287974500017"],["dc.identifier.pmid","21368411"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/23702"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Int Union Crystallography"],["dc.relation.issn","2053-2296"],["dc.title","Intermolecular interactions, disorder and twinning in ciprofloxacin-2,2-difluoroethanol (2/3) and ciprofloxacin-water (3/14.5)"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2354"],["dc.bibliographiccitation.issue","8"],["dc.bibliographiccitation.journal","CrystEngComm"],["dc.bibliographiccitation.lastpage","2360"],["dc.bibliographiccitation.volume","12"],["dc.contributor.author","Fabbiani, Francesca P. A."],["dc.contributor.author","Levendis, Demetrius C."],["dc.contributor.author","Buth, Gernot"],["dc.contributor.author","Kuhs, Werner F."],["dc.contributor.author","Shankland, Norman"],["dc.contributor.author","Sowa, Heidrun"],["dc.date.accessioned","2018-11-07T08:47:28Z"],["dc.date.available","2018-11-07T08:47:28Z"],["dc.date.issued","2010"],["dc.description.abstract","High-pressure crystallisation of an aqueous solution of the GABA analogue gabapentin at 0.8 GPa resulted in the formation of a previously unknown heptahydrate form, whose structure has been determined by in situ single-crystal X-ray diffraction. The structure and water framework of this unusually highly hydrated small molecule are described in detail."],["dc.description.sponsorship","Alexander von Humboldt Foundation; University of Gottingen"],["dc.identifier.doi","10.1039/b924573a"],["dc.identifier.isi","000280204900014"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/20960"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1466-8033"],["dc.title","Searching for novel crystal forms by in situ high-pressure crystallisation: the example of gabapentin heptahydrate"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2541"],["dc.bibliographiccitation.issue","9"],["dc.bibliographiccitation.journal","CrystEngComm"],["dc.bibliographiccitation.lastpage","2550"],["dc.bibliographiccitation.volume","12"],["dc.contributor.author","Fabbiani, Francesca P. A."],["dc.contributor.author","Buth, Gernot"],["dc.contributor.author","Dittrich, Birger"],["dc.contributor.author","Sowa, Heidrun"],["dc.date.accessioned","2018-11-07T08:47:28Z"],["dc.date.available","2018-11-07T08:47:28Z"],["dc.date.issued","2010"],["dc.description.abstract","The effects of pressure on the structure of cyanocobalamin (vitamin B12) have been investigated by compressing a single crystal grown from water together with its mother liquor to 1.0 GPa. The structure of a crystal grown from water in situ in a capillary has also been re-determined at room temperature and pressure. A conformational rearrangement of selected amide side chains, reduced displacement parameters and remarkable solvent ordering have been observed at high pressure."],["dc.description.sponsorship","Alexander von Humboldt Foundation; University of Gottingen; KIT-ISS-Anka"],["dc.identifier.doi","10.1039/c003378b"],["dc.identifier.isi","000281142500007"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/20962"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1466-8033"],["dc.title","Pressure-induced structural changes in wet vitamin B12"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]