Sowa, Heidrun

[["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"]]