@misc{KruegerKellingLinkeretal.2019,
  author    = {Krueger, Tobias and Kelling, Alexandra and Linker, Torsten and Schilde, Uwe},
  title     = {Crystal structures of three cyclohexane‑based γ‑spirolactams},
  series = {Postprints der Universit{\"a}t Potsdam Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam Mathematisch-Naturwissenschaftliche Reihe},
  number    = {738},
  doi       = {10.25932/publishup-43491},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-434911},
  pages     = {9},
  year      = {2019},
  abstract  = {The title compounds, 2-azaspiro[4.5]deca-1-one, C₉H₁₅NO, (1a), cis-8-methyl-2-azaspiro[4.5]deca-1-one, C₁₀H₁₇NO, (1b), and trans-8-methyl-2-azaspiro[4.5]deca-1-one, C₁₀H₁₇NO, (1c), were synthesized from benzoic acids 2 in only 3 steps in high yields. Crystallization from n-hexane afforded single crystals, suitable for X-ray diffraction. Thus, the configurations, conformations, and interesting crystal packing effects have been determined unequivocally. The bicyclic skeleton consists of a lactam ring, attached by a spiro junction to a cyclohexane ring. The lactam ring adopts an envelope conformation and the cyclohexane ring has a chair conformation. The main difference between compound 1b and compound 1c is the position of the carbonyl group on the 2-pyrrolidine ring with respect to the methyl group on the 8-position of the cyclohexane ring, which is cis (1b) or trans (1c). A remarkable feature of all three compounds is the existence of a mirror plane within the molecule. Given that all compounds crystallize in centrosymmetric space groups, the packing always contains interesting enantiomer-like pairs. Finally, the structures are stabilized by intermolecular N-H···O hydrogen bonds.},
  language  = {en}
}
@misc{KirsteBrietzkeHoldtetal.2019,
  author    = {Kirste, Matthias and Brietzke, Thomas Martin and Holdt, Hans-J{\"u}rgen and Schilde, Uwe},
  title     = {The crystal structure of 1,12-diazaperylene, C₁₈H₁₀N₂},
  series = {Postprints der Universit{\"a}t Potsdam Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam Mathematisch-Naturwissenschaftliche Reihe},
  number    = {752},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-43650},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-436501},
  pages     = {3},
  year      = {2019},
  abstract  = {C₁₈H₁₀N₂, monoclinic, P2₁/c (no. 14), a=7.9297(9) {\AA}, b=11.4021(14) {\AA}, c=13.3572(15) {\AA}, β=105.363(8)°, V =1164.5(2) {\AA}³, Z =4, Rgt(F)=0.0325, wRref(F²)=0.0774, T =210(2) K.},
  language  = {en}
}
@misc{MirskovaAdamovichMirskovetal.2017,
  author    = {Mirskova, Anna N. and Adamovich, Sergey N. and Mirskov, Rudolf G. and Schilde, Uwe},
  title     = {Reaction of pharmacological active tris-(2-hydroxyethyl)ammonium 4-chlorophenylsulfanylacetate with ZnCl2 or NiCl2},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-401099},
  pages     = {5},
  year      = {2017},
  abstract  = {The reaction of pharmacological active protic ionic liquid tris-(2-hydroxyethyl)ammonium 4-chlorophenylsulfanylacetate H + N(CH 2 CH 2 OH) 3 ∙ ( - OOCCH 2 SC 6 H 4 Cl-4) (1) with zinc or nickel chloride in a ratio of 2:1 affords stable at room temperature powder-like adducts [H + N(CH 2 CH 2 OH) 3 ] 2 ∙ [M(OOCCH 2 SC 6 H 4 Cl-4) 2 Cl 2 ] 2- , M = Zn (2), Ni (3). By recrystallization from aqueous alcohol compound 2 unexpectedly gives Zn(OOCCH 2 SC 6 H 4 Cl-4) 2 ∙ 2H 2 O (4). Unlike 2, compound 3 gives crystals [N(CH 2 CH 2 OH) 3 ] 2 Ni 2+ · [ - OOCCH 2 SC 6 H 4 Cl-4] 2 (5), which have a structure of metallated ionic liquid. The structure of 5 has been proved by X-ray diffraction analysis. It is the first example of the conversion of a protic ionic liquid into potentially biological active metallated ionic liquid (1 → 3 → 5).},
  language  = {en}
}
@misc{SchildePazOrtiz2017,
  author    = {Schilde, Uwe and Paz, Christian and Ortiz, Leandro},
  title     = {Crystal structure of erioflorin isolated from Podanthus mitiqui (L.)},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-401832},
  pages     = {4},
  year      = {2017},
  abstract  = {The title compound, erioflorin, C19H24O6 [systematic name: (1aR,3S,4Z,5aR,8aR,9R,10aR)-1a, 2,3,5a, 7,8,8a, 9,10,10a-decahydro-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxooxireno[5,6] cyclodeca[1,2-b]furan-9-yl methacrylate], is a tricyclic germacrane sesquiterpene lactone, which was isolated from Podanthus mitiqui (L.). The compound crystallizes in the space group P2(1)2(1)2(1), and its molecular structure consists of a methacrylic ester of a ten-membered ring sesquiterpenoid annelated with an epoxide and a butyrolactone. The structure is stabilized by one intramolecular C-H center dot center dot center dot O hydrogen bond. An O-H center dot center dot center dot O hydrogen bond and further C-H center dot center dot center dot O interactions can be observed in the packing.},
  language  = {en}
}
@misc{KoenigKellingSchildeetal.2017,
  author    = {K{\"o}nig, Jana and Kelling, Alexandra and Schilde, Uwe and Strauch, Peter},
  title     = {[µ2-O,O′,Oʺ,Oʺ′-Bis(1,2-dithiooxalato-S,S′)nickel(II)]bis[-O,O′-bis(1,2-dithiooxalato-S,S′)-nickel(II)pentaquaholmium(III)]hydrate, [Ho2Ni3(dto)6(H2O)10]},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-400598},
  pages     = {5},
  year      = {2017},
  abstract  = {Planar bis(1,2-dithiooxalato)nickelate(II), [Ni(dto)]2- reacts in aqueous solutions with lanthanide ions (Ln3+) to form pentanuclear, hetero-bimetallic complexes of the general composition [{Ln(H2O)n}2{Ni(dto)2}3]·xH2O. (n = 4 or 5; x = 9-12). The complex [{Ho(H2O)5}2{Ni(dto)2}3]·10H2O, Ho2Ni3, was synthesized and characterized by single crystal X-ray structure analysis and powder diffraction. The Ho2Ni3 complex crystallizes as monoclinic crystals in the space group P21/c. The channels and cavities, appearing in the crystal packing of the complex molecules, are occupied by a varying amount of non-coordinated water molecules.},
  language  = {en}
}
@misc{AdamovichMirskovaMirskovetal.2017,
  author    = {Adamovich, Sergey N. and Mirskova, Anna N. and Mirskov, Rudolf G. and Schilde, Uwe},
  title     = {Synthesis and crystal structure of 1,4,10,13-tetraoxa-7,16-diazoniumcyclo-octadecane bis(4-chloro-2-methyl-phenoxyacetate)},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-400905},
  pages     = {4},
  year      = {2017},
  abstract  = {The title compound was prepared by the reaction of 1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane with 4-chloro-2-methyl-phenoxyacetic acid in a ratio of 1:2. The structure has been proved by the data of elemental analysis, IR spectroscopy, NMR ( 1 H, 13 C) technique and by X-ray diffraction analysis. Intermolecular hydrogen bonds between the azonium protons and oxygen atoms of the carboxylate groups were found. Immunoactive properties of the title compound have been screened. The compound has the ability to suppress spontaneous and Con A-stimulated cell proliferation in vitro and therefore can be considered as immunodepressant.},
  language  = {en}
}
@misc{GrunwaldKellingHoldtetal.2017,
  author    = {Grunwald, Nicolas and Kelling, Alexandra and Holdt, Hans-J{\"u}rgen and Schilde, Uwe},
  title     = {The crystal structure of 1,1′-bisisoquinoline, C18H12N2},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-401952},
  pages     = {3},
  year      = {2017},
  abstract  = {C18H12N2, tetragonal, I41/a (no. 88), a=13.8885(6) {\AA}, c=13.6718(6) {\AA}, V =2637.2(3) {\AA}3, Z =8, Rgt(F)=0.0295, wRref(F2)=0.0854, T =210 K. CCDC no.: 631823},
  language  = {en}
}
@misc{ZehbeKolloscheLardongetal.2017,
  author    = {Zehbe, Kerstin and Kollosche, Matthias and Lardong, Sebastian and Kelling, Alexandra and Schilde, Uwe and Taubert, Andreas},
  title     = {Ionogels based on poly(methyl methacrylate) and metal-containing ionic liquids},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-400607},
  pages     = {16},
  year      = {2017},
  abstract  = {Ionogels (IGs) based on poly(methyl methacrylate) (PMMA) and the metal-containing ionic liquids (ILs) bis-1-butyl-3-methlimidazolium tetrachloridocuprate(II), tetrachloride cobaltate(II), and tetrachlorido manganate(II) have been synthesized and their mechanical and electrical properties have been correlated with their microstructure. Unlike many previous examples, the current IGs show a decreasing stability in stress-strain experiments on increasing IL fractions. The conductivities of the current IGs are lower than those observed in similar examples in the literature. Both effects are caused by a two-phase structure with micrometer-sized IL-rich domains homogeneously dispersed an IL-deficient continuous PMMA phase. This study demonstrates that the IL-polymer miscibility and the morphology of the IGs are key parameters to control the (macroscopic) properties of IGs.},
  language  = {en}
}
@misc{ZabelWinterKellingetal.2016,
  author    = {Zabel, Andr{\´e} and Winter, Alette and Kelling, Alexandra and Schilde, Uwe and Strauch, Peter},
  title     = {Tetrabromidocuprates(II)-Synthesis, Structure and EPR},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-91470},
  pages     = {14},
  year      = {2016},
  abstract  = {Metal-containing ionic liquids (ILs) are of interest for a variety of technical applications, e.g., particle synthesis and materials with magnetic or thermochromic properties. In this paper we report the synthesis of, and two structures for, some new tetrabromidocuprates(II) with several "onium" cations in comparison to the results of electron paramagnetic resonance (EPR) spectroscopic analyses. The sterically demanding cations were used to separate the paramagnetic Cu(II) ions for EPR measurements. The EPR hyperfine structure in the spectra of these new compounds is not resolved, due to the line broadening resulting from magnetic exchange between the still-incomplete separated paramagnetic Cu(II) centres. For the majority of compounds, the principal g values (g|| and gK) of the tensors could be determined and information on the structural changes in the [CuBr4]2- anions can be obtained. The complexes have high potential, e.g., as ionic liquids, as precursors for the synthesis of copper bromide particles, as catalytically active or paramagnetic ionic liquids.},
  language  = {en}
}
@misc{SchildeKellingUmbreenetal.2016,
  author    = {Schilde, Uwe and Kelling, Alexandra and Umbreen, Sumaira and Linker, Torsten},
  title     = {Crystal structures of three bicyclic carbohydrate derivatives},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-100833},
  pages     = {6},
  year      = {2016},
  abstract  = {The title compounds, [(1R,3R,4R,5R,6S)-4,5-bis­(acet­yloxy)-7-oxo-2-oxabi­cyclo[4.2.0]octan-3-yl]methyl acetate, C14H18O8, (I), [(1S,4R,5S,6R)-5-acet­yloxy-7-hy­droxy­imino-2-oxobi­cyclo­[4.2.0]octan-4-yl acetate, C11H15NO6, (II), and [(3aR,5R,6R,7R,7aS)-6,7-bis­(acet­yloxy)-2-oxo­octa­hydro­pyrano[3,2-b]pyrrol-5-yl]methyl acetate, C14H19NO8, (III), are stable bicyclic carbohydrate derivatives. They can easily be synthesized in a few steps from commercially available glycals. As a result of the ring strain from the four-membered rings in (I) and (II), the conformations of the carbohydrates deviate strongly from the ideal chair form. Compound (II) occurs in the boat form. In the five-membered lactam (III), on the other hand, the carbohydrate adopts an almost ideal chair conformation. As a result of the distortion of the sugar rings, the configurations of the three bicyclic carbohydrate derivatives could not be determined from their NMR coupling constants. From our three crystal structure determinations, we were able to establish for the first time the absolute configurations of all new stereocenters of the carbohydrate rings.},
  language  = {en}
}