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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].

Isolation and X-ray crystal structure of tetrahydroisoquinoline alkaloids from Calycotome villosa Subsp. intermedias (2004)

Ali El Antri Ibtissam Messouri Mohamed Bouktaib Rachid El Alami Michael Bolte Brahim El Bali Mohammed Lachkar

Two tetrahydroisoquinoline alkaloids were extracted from the alkaloid fraction of a methanol extract of the seeds of Calycotome Villosa Subsp. intermedia. Their structures were established as (R)-1-hydroxymethyl-7-8-dimethoxy-1,2,3,4-tetrahydro- isoquinoline (1) and (S)-7-hydroxymethyl-2-3-dimethoxy-7,8,9,10-tetrahydroisoquinoline chloride (2) by spectroscopic techniques and X-ray diffraction analysis.

Synthesis and Crystal Structure of 1-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)thiourea (2011)

Aamer Saeed Uzma Shaheen Michael Bolte

The title thiourea was synthesized by reaction of 3,4,5-trimethoxybenzoyl isothiocyante with 3-fluoroaniline. The 3,4,5-trimethoxybenzoyl isothiocyante was produced in situ by reaction of 3,4,5-trimethoxybenzoyl chloride with ammonium thiocyanate in dry acetonitrile. The structure was confirmed by the spectroscopic, elemental analysis and single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21/c with unit cell dimensions a = 13.0966(9), b = 16.6460(13), c = 7.8448(5), β = 106.721(5)°, V 1637.9(2) Å³, Z = 4.

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.

(1R,2S)-Methyl 1-(4-chloro-phen-yl)-3-oxo-1,2,3,4-tetra-hydro-cyclo-penta-[b]indole-2-carboxyl-ate 0.2-hydrate (2011)

Sadiya Raja Michael Bolte

The title compound, C(19)H(14)ClNO(3)·0.2H(2)O, crystallizes with five mol-ecules and a disordered water mol-ecule in the asymmetric unit. Four of the five mol-ecules form hydrogen-bonded dimers via N-H⋯O hydrogen bonds towards another symmetry-independent mol-ecule, whereas the fifth mol-ecule forms a hydrogen-bonded dimer with its symmetry equivalent, also via N-H⋯O hydrogen bonds. The dihedral angle between the planes of the fused benzene ring and the five-membered ring to which it is attached is 79.45 (13), 49.00 (15), 72.49 (16), 81.91 (18) and 76.38 (16)° for the five mol-ecules in the asymmetric unit.

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.

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.

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