OPUS 4 | Universitätspublikationen

Bromido(2,4,6-trimethylphenyl)mercury(II) (2012)

Frank Meyer-Wegner Tanja Sinke Hans-Wolfram Lerner Michael Bolte

Molecules of the title compound, [HgBr(C9H11)], are located on a crystallographic twofold rotation axis. Due to the molecular symmetry, the HgII atom is linearly coordinated by the ipso-C of the mesityl group and the Br atom. In the crystal, molecules lie in planes parallel to (001).

Dimethyl 6-bromo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate (2012)

Zeynep Gültekin Michael Bolte Tuncer Hökelek

In the title compound, C14H14BrNO4, the dihydropyridine ring adopts a screw-boat conformation. In the crystal, pairs of N—H[cdots, three dots, centered]O hydrogen bonds link the molecules into inversion R 2 2(10) dimers.

Dimethyl 6-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate (2012)

Zeynep Gültekin Michael Bolte Tuncer Hökelek

In the title compound, C16H17NO5, the dihydropyridine ring adopts a sofa conformation. In the crystal, intermolecular N—H[cdots, three dots, centered]O hydrogen bonds link the molecules into chains running along the b axis.

Space group revsion of the triclinic polymorph of salicyl-aldehyde azine (2012)

Aamer Saeed Michael Bolte Muhammad Arshad

The structure of the title compound, C14H12N2O2 {systematic name: 2,2′-[hydrazinediylidenebis(methanylylidene)]diphenol}, has already been determined in the triclinic space group P An external file that holds a picture, illustration, etc. Object name is e-68-0o255-efi1.jpg with Z = 4 [El-Medani, Aboaly, Abdalla & Ramadan (2004 [triangle]). Spectrosc. Lett. 37, 619–632]. However, the correct space group should be P21/c with Z = 4. This structure is a new polymorph of the already known monoclinic polymorph of salicyladehyde azine, which crystallizes in space group P21/n with Z = 2. The benzene rings form a dihedral angle of 46.12 (9)°. Two intramolucular O—H[cdots, three dots, centered]N hydrogen bonds occur.

1-Decyl-6-nitro-1H-benzimidazol-2(3H)-on (2012)

Younes Ouzidan Youssef Kandri Rodi El Mokhtar Essassi Santiago V. Luis Michael Bolte Lahcen El Ammari

The title molecule, C17H25N3O3, is built up from fused six- and five-membered rings linked to a –C10H21 chain. The fused-ring system is essentially planar, the largest deviation from the mean plane being 0.009 (2) Å. The chain is roughly perpendicular to this plane, making a dihedral angle of 79.5 (2)°. In the crystal, N—H[cdots, three dots, centered]O hydrogen bonds build infinite chains along [010]. There are channels in the structure containing disordered hexane. The contribution of this solvent to the scattering power was suppressed using the SQUEEZE option in PLATON [Spek (2009 [triangle]). Acta Cryst. D65, 148–155].

(9R,10R,10aR)-9-(2-Bromo-phen-yl)-10-nitro-6-phenyl-10,10a-dihydro-9H-benzo[c]chromene-8-carbaldehyde (2011)

Jeremy Dufour Modhu Sudan Maji Michael Bolte

The title compound, C26H18BrNO4, features a functionalized chromene. The cyclohexene ring adopts a sofa conformation and has the nitro group and the bromophenyl ring in an axial position. The ten atoms of the chromene moiety lie close to a common plane (r.m.s. deviation = 0.066 Å). The attached phenyl ring is twisted by 32.89 (10)° from the chromene plane. The crystal packing is stabilized by C—H[cdots, three dots, centered]O interactions.

The low-temperature structure of diethyl ether magnesium oxybromide (2011)

Hannes Vitze Hans-Wolfram Lerner Michael Bolte

The crystal structure of the title compound, hexa-μ2-bromido-μ4-oxido-tetrakis[(diethyl ether)magnesium], [Mg4Br6O(C4H10O)4], determined from data measured at 173 K, differs from the previously known structure of diethyl ether magnesium oxybromide, which was determined from room-temperature data [Stucky & Rundle (1964 [triangle]). J. Am. Chem. Soc. 86, 4821–4825]. The title compound crystallizes in the tetragonal space group I An external file that holds a picture, illustration, etc. Object name is e-67-m1614-efi7.jpg, whereas the previously known structure crystallizes in a different tetragonal space group, namely P An external file that holds a picture, illustration, etc. Object name is e-67-m1614-efi7.jpg21 c. Both molecules have crystallographic An external file that holds a picture, illustration, etc. Object name is e-67-m1614-efi7.jpg symmetry and show almost identical geometric parameters for the Mg, Br and O atoms. The crystal of the title compound turned out to be a merohedral twin emulating a structure with apparent Laue symmetry 4/mmm, whereas the correct Laue group is just 4/m. The fractional contribution of the minor twin component converged to 0.462 (1).

Tetrakis(μ(3)-9-oxa-10-boraanthracen-10-olato)tetrakis[(diethyl ether)lithium] (2011)

Daniel Franz Hans-Wolfram Lerner Dominik Büttner Michael Bolte

The title compound, [Li4O4(C12H8BO)4(C4H10O)4], features a Li4O4 cube. Each Li atom in the cube is additionally coordinated by a diethyl ether molecule and each O atom in the cube carries a 9-oxa-10-boraanthracene residue. The crystal studied was a non-merohedral twin [twin law (-1 0 0 / 0 0 1 / 0 1 0); the contribution of the major twin component refined to 0.553 (3)] emulating apparent tetragonal symmetry, whereas the actual crystal system is just orthorhombic.

5-Chloro-1-nonyl-1H-benzimidazol-2(3H)-one (2011)

Youssef Kandri Rodi Fouad Ouazzani Chahdi El Mokhtar Essassi Santiago V. Luis Michael Bolte Lahcen El Ammari

The asymmetric unit of the title compound, C16H23ClN2O, comtains two independent molecules in which the fused-ring systems are essentially planar, the largest deviation from the mean plane of each molecule being 0.011 (2) Å and 0.016 (2) Å. The benzimidazole rings of the two molecules make a dihedral angle of 66.65 (7)°. The nonyl substituents are almost perpendicular to the benzimidazole planes [C—N—C—C tosrsion angles = 96.0 (3) and 81.0 (2)°]. In the crystal, each independent molecule forms an inversion dimer via a pair of N—H[cdots, three dots, centered]O hydrogen bonds. In one of the independent molecules, the terminal –CH2–CH3 group of the alkyl chain is disordered over two sets of sites with a refined occupancy ratio of 0.746 (7):0.254 (7).

1,3-Dibenzyl-1H-benzimidazol-2(3H)-one (2011)

Youssef Kandri Rodi Fouad Ouazzani Chahdi El Mokhtar Essassi Santiago V. Luis Michael Bolte Lahcen El Ammari

In the molecular structure of the title compound, C21H18N2O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.0121 (9) Å. The O atom and adjacent C atom are located in Wyckoff position 4e on a twofold axis (0, y, 1/4). The two benzyl groups are almost perpendicular to the benzimidazole plane, but point in opposite directions. The dihedral angle between the benzimidazole mean plane and the phenyl ring is 81.95 (5)°, whereas that between the two benzyl groups is 60.96 (7)°.

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