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- ItemCrystal structure of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium trifluoromethanesulfonate(Chester : International Union of Crystallography, 2015) Godemann,Christian; Spannenberg, Anke; Beweries, TorstenIn the cation of the title salt, C9H20NO+·CF3O3S-, the six-membered heterocyclic ring displays a chair conformation. In the crystal, centrosymmetric pairs of cations and anions are linked by N-H...O and O-H...O hydrogen bonds to form rings with a R44(14) graph-set motif.
- ItemCrystal structure of (E)-undec-2-enoic acid(Chester : International Union of Crystallography, 2015) Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, SebastianIn the molecule of the title low-melting [alpha],[beta]-unsaturated carboxylic acid, C11H20O2, the least-squares mean line through the octyl chain forms an angle of 60.10 (13)° with the normal to plane of the acrylic acid fragment (r.m.s. deviation = 0.008 Å). In the crystal, centrosymmetrically related molecules are linked by pairs of O-H...O hydrogen bonds into dimers, forming layers parallel to the (041) plane.
- ItemCrystal structure of 1,1,2,2-tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane(Chester : International Union of Crystallography, 2015) Godemann,Christian; Spannenberg, Anke; Beweries, TorstenThe molecular structure of the title compound, C22H38Si2, features a trans arrangement of the cyclopentadienyl rings to avoid steric strain [C-Si-Si-C torsion angle = -179.0 (5)°]. The Si-Si bond length is 2.3444 (4) Å. The most notable intermolecular interactions in the molecular packing are C-H...[pi] contacts that lead to the formation of wave-like supramolecular chains along the b axis.
- ItemCrystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate(Chester : International Union of Crystallography, 2015) Schirmer, Marie-Luis; Spannenberg, Anke; Werner, ThomasThe title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connected via the C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through the cis and trans ethoxycarbonyl groups, respectively. An intramolecular C-H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to the b axis by C-H...O hydrogen bonds.
- ItemCrystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2 N:N'}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate(Chester : International Union of Crystallography, 2015) Becker, Lisanne; Spannenberg, Anke; Arndt, Perdita; Rosenthal, UweThe title compound, [Zr2(C10H15)4(C6H6N2)2]·C6H14, was obtained by the stoichiometric reaction of adiponitrile with [Zr(C10H15)2([eta]2-Me3SiC2SiMe3)]. Intramolecular nitrile-nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)cyclopentane ligand, which functions as a five-membered bridge between the two metal atoms. The ZrIV atom exhibits a distorted tetrahedral coordination sphere defined by two pentamethylcyclopentadienyl ligands, by the imino unit of one (1-imino-2-enimino)cyclopentane and by the enimino unit of the second (1-imino-2-enimino)cyclopentane. The cyclopentane ring of the ligand shows an envelope conformation. The asymmetric unit contains one half of the complex and one half of the hexane solvent molecule, both being completed by the application of inversion symmetry. One of the pentamethylcyclopentadienyl ligands is disordered over two sets of sites with a refined occupancy ratio of 0.8111 (3):0.189 (3). In the crystal, the complex molecules are packed into rods extending along [100], with the solvent molecules located in between. The rods are arranged in a distorted hexagonal packing.