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22 citations found for Forsyth, C.
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As part of an antipsychotic drug discovery program, we report the crystal structure of the title compound, C24H23ClN4O. The molecule has a tricyclic framework with a characteristic buckled V-shaped pyridobenzoxazepine unit, with the central seven-membered heterocycle in a boat configuration. The piperazine ring displays a chair conformation with the 2-phenyl-ethyl substituent assuming an equatorial orientation. There are two crystallographically independent, but virtually identical, molecules in the asymmetric unit.
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The crystal structure of the title compound, 2C30H24Cl2N6·C5H12·C3H6O, shows the presence of two geometric forms of the C30H24Cl2N6 molecule, each exhibiting the characteristic buckled nature of the dibenzodiazepine nucleus with the central seven-membered heterocycle in a boat conformation. Form A contains a twofold rotation axis and form B a centre of symmetry. The solvent molecules are disordered equally over two sites.
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The title compound, C10H7Cl3O, obtained as a major byproduct from a classical Schmidt reaction. The cyclohexyl ring is distorted from a classical chair conformation, as observed for monocyclic analogues, presumably due to conjugation of the planar annulated benzo ring and the ketone group (r.m.s. deviation 0.024 Å). There are no significant intermolecular interactions.
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The title molecule, C20H31NO8, has pseudo-C2 symmetry about the C-N bond, with the bis(tert-butoxycarbonyl)amino group twisted from the benzene ring plane by ca 60° and the bulky tert-butoxycarbonyl (Boc) groups are orientated away from the substituted aniline group. As part of an antibacterial drug discovery programme furnishing analogues of platensimycin, we unexpectedly synthesized the bis-Boc-protected aniline.
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The centrosymmetric title compound, C28H20Cl2N6O2, features a tricyclic framework with the characteristic V-shape of the pyridobenzoxazepine nucleus and with the central seven-membered heterocycle having a classical boat conformation. The piperazine ring displays an almost-perfect chair conformation, with the tricyclic nuclei assuming a pseudo-equatorial orientation.
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Unexpected dual intermolecular hydrogen bonding has been observed in a class of N-aryl-substituted ortho-phenylene diamine compounds. Initially detected in solution by the observation of unexplained signals in the 1H NMR spectrum, it was further corroborated by two-dimensional COSY NMR spectroscopy and solid-state X-ray crystallography data.
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X-ray structure analysis of hydroxy–cineole, derived from the biotransformation of cineole, was undertaken to unambiguously determine the location and stereochemistry of the hydroxyl functionality. In the solid state, weak intramolecular O—H
O hydrogen bonding is present, causing the molecules to arrange in spiral chains.
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The title compound, C17H15BrN4O3S, was formed by base-assisted N-alkylation of (1,1-dioxo-2-phenyl-2,3-dihydro-1H-1λ6,2,3,5-thiatriazol-4-yl)dimethylamine with p-bromophenacyl bromide, followed by ring expansion and aerial oxidation to form an unusual 5-acyl-substituted 3-amino-1,1-dioxo-1,2,4,6-thiatriazine. The thiatriazine ring adopts an envelope conformation, with the S atom displaced by 0.308 (2) Å from the plane of the other five atoms.
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The title compound, also known as sodium nicotinate, Na+·C6H4NO2-, consists of two unique Na atoms coordinated to two unique pyridine-3-carboxylate ligands through the N atoms and carboxylate groups. One Na atom and one pyridine-3-carboxylate ligand lie on a twofold axis. Extensive Na coordination results in a three-dimensional array comprising infinite NaO2CR chains linked by intrachain Na-N bonds.
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The syntheses and crystal structures of two 2,3-diethylnaphthoquinoxaline-6-11-dione derivatives are described. Molecules of C20H16N2O4 (II) are near planar and form stacks down the c axis through π–π ring interactions. In the substituted derivative, C30H34N4O2 (IV), the polycyclic cores have a significant twist and only minor intermolecular C—H
O hydrogen-bonding interactions are present.
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The crystal structure of the title compound, C11H11NO4, forms an extended interdigitated hydrogen-bonded array via O—H
O interactions parallel to the c axis. The oxime adopts a Z configuration.
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The title compound, a rare example of a spirocyclic orthoamide, was synthesized by a double cyclization of a N-Boc protected sarcosine derivative. The crystal structure of the racemic (R,R/S,S) modification reveals two near-orthogonal five-membered heterocyclic ring systems, each in an envelope configuration.
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The title compound, C10H16N4O3S, is the first example of a fused bicyclic oxathiatriazaindene ring system The six-membered heterocycle adopts a boat conformation. Molecules are linked by weak C—H
O hydrogen bonds.
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The title compound, C12H18N4O3S, is the first example of a fused dicyclic hexahydro-4-oxa-5-thia-1,6,7a-triazaindene ring system. The structure comprises two molecules in the asymmetric unit, which differ in terms of the orientation of their pendant n-propyl groups.
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The title compound, C10H14N4O3S, is the first example of the fused tricyclic octahydro-1-thia-2,3a,8a-triazacyclopenta[a]indene ring system. The S-containing heterocycle adopts a typical envelope conformation, fused at the 2,3-positions to a 2,3a,4,5,6,7-hexahydroindazol-3-one unit.
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The title compound, [Zn4(C28H18N4O2)2(CH3O)2](ClO4)2·2C3H7NO, is a C2 symmetric tetranuclear zinc(II) complex comprised of two [Zn2L]2+ units bridged by a pair of μ2-OMe ligands (where L is the doubly-deprotonated form of the macrocyclic dinucleating ligand derived from the [2 + 2] Schiff base condensation between 2-hydroxybenzene-1,3-dicarbaldehyde and 1,2-diaminobenzene). Each ZnII atom has a distorted square-pyramidal coordination geometry and the Zn4(μ-OMe)2 unit lies in the cleft formed by two distinctly bent Schiff base ligands. The observed molecular shape is supported by an intramolecular π–π interaction between one of the phenolate rings on each of the two ligands [centroid–centroid distance = 3.491 (5) Å]. The methyl groups of the solvent molecule are disordered over two sets of sites in a 0.6:0.4 ratio.
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In the trinuclear title compound, [Cu3Cl4(C17H38N3O2)2]·2H2O or [Cu(AcC11tacn)Cl·H2O]2·CuCl2 [tacn is 1,4,7-triazacyclononone], two Cu atoms are coordinated by a bifunctionalized 1-acetato-4-undecyl-1,4,7-triazacyclononone (AcC11tacn) macrocycle and are five-coordinate, while the third Cu atom, located on a centre of inversion, bridges these two units between two keto O atoms, with two Cl atoms completing a four-coordinate square-planar geometry. The long C11 tails on the macrocycle create well ordered multilayer packing.