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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.

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.

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.

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).

3-Allyl-6-bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one (2011)

Siham Dahmani Youssef Kandri Rodi Santiago V. Luis Michael Bolte Lahcen El Ammari

In the title compound, C15H14N2O4, (I), the molecule lies on a twofold rotation axis which passes through the central C atom of the aliphatic chain, giving one half-molecule per asymmetric unit. The structure is a monoclinic polymorph of the triclinic structure previously reported [Brito, Vallejos, Bolte & López-Rodríguez (2010). Acta Cryst. E66, o792], (II). The most obvious difference between them is the O/C/C/C—O/C/C/C torsion angle [58.2 (7)° in (I) and 173.4 (3)/70.2 (3)° in (II) for GG and TG conformations, respectively]. Another important difference is observed in the dihedral angle between the planes of the aromatic rings [86.49 (7)° for (I) and 76.4 (3)° for (II)]. The crystal structure features a weak π–π interaction [centroid–centroid distance = 4.1397 (10)Å]; this latter kind of interaction is not evident in the triclinic polymorph.

Poly[[μ-ethane-1,2-diyl bis-(pyridine-3-carboxyl-ate)](μ-tetra-fluorido-borato)silver(I)] (2012)

Javier Vallejos Iván Brito Alejandro Cárdenas Michael Bolte

In the title compound, [Ag(BF4)(C14H12N2O4)]n, the coordination of the Ag+ ion is trigonal–bipyramidal with the N atoms of two ethane-1,2-diyl bis(pyridine-3-carboxylate) ligands in the apical positions and three F atoms belonging to different tetrafluoridoborate anions in the equatorial plane. The material consists of infinite chains of [Ag(C14H12N2O4)] units running along [001], held together by BF4 − bridging anions.

Iodido(tri-tert-butylphosphane-κP)gold(I) (2012)

Inge Sänger Hans-Wolfram Lerner Tanja Sinke Michael Bolte

The AuI atom of the title compound, [AuI(C12H27P)], shows an almost linear coordination, with a P—Au—I angle of 178.52 (3)° [Au—P = 2.2723 (14) Å and Au—I = 2.5626 (6) Å].

trans-Dichloridobis(triphenylphosphane-κP)palladium(II) benzene hemisolvate (2012)

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

The title complex, [PdCl2(C18H15P)2]·0.5C6H6, has the PdII ion in a square-planar coordination mode (r.m.s. deviation for Pd, P and Cl atoms = 0.024 Å) with the PPh3 and Cl ligands mutually trans. The benzene solvent molecule is located about a crystallographic inversion centre. The title complex is isostructural with trans-dichloridobis(triphenylphosphane)palladium(II) 1,4-dichlorobenzene sesquisolvate [Kitano et al. (1983 [triangle]). Acta Cryst. C39, 1015–1017].

Ethyl 4-[3-(2-methylbenzoyl)thioureido]benzoate (2009)

Aamer Saeed Hummera Rafique Amara Mumtaz Michael Bolte

The molecular conformation of the title compound, C18H18N2O3S, is stabilized by an intramolecular N—H ... O hydrogen bond. The crystal packing shows centrosymmetric dimers connected by N—H ... S hydrogen bonds. The terminal ethoxy substituents are statistically disordered [occupancy ratio 0.527 (5):0.473 (5)].

Dimethyl 2,2'-[butane-1,4-diylbis(sulfanediyl)]dibenzoate (2009)

Iván Brito Alejandro Cárdenas Joselyn Albanez Michael Bolte Matías López-Rodríguez

The title compound, C20H22O4S2, was synthesized by the reaction of 1,4-dibromobutene with methyl thiosalicylate. The aliphatic segment of this ligand is in an all-trans conformation. The bridging chain, –S-(CH2)4-S–, is almost planar (r.m.s. deviation for all non-H atoms: 0.056 Å) and its mean plane forms dihedral angles of 16.60 (7) and 5.80 (2)° with the aromatic rings. In the crystal, the molecules are linked by weak C—H ... O interactions into chains with graph-set notation C(14) along [0 0 1]. The crystal studied was a racemic twin, the ratio of the twin components being 0.27 (9):0.73 (9).

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