579 research outputs found
4,6,10,12,16,18,22,24-Octa-O-methyl-2,8,14,20-tetrapentylresorcin[4]arene
The complete molecule of the title compound, C56H80O8, is generated by a crystallographic inversion centre. The dihedral angle between the aromatic ring and the unique half of the molecule is 81.52 (16)°. There are no π–π interactions in the crystal structure
4,10,16,22-Tetrakis(2-chloroacetoxy)-6,12,18,24-tetramethoxy-2,8,14,20-tetrapentylresorcin[4]arene
The title compound, C60H76Cl4O12, has a macrocyclic structure and both the upper and lower rim have disordered atoms. There are no hydrogen bonds or π–π stacking interactions in the crystal
7,11,15,28-Tetramethyl-1,21,23,25-tetrakis(2-phenylethyl)resorcin[4]arene ethyl acetate clathrate
The title compound, C68H64O8·C4H8O2, is a new resorcin[4]arene cavitand synthetic precursor, obtained by alkylation of a previously reported resorcin[4]arene. The additional alkyl bridges significantly rigidify the structure and enforce a ‘bowl’ shape on the molecular cavity. In the crystal structure, the molecule lies on a crystallographic mirror plane, and a single ethyl acetate molecule (also lying on the mirror plane) is present within the compound cavity, illustrating the host capabilities of the molecule
(1R,3S)-N-Benzhydryl-2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carbothioamide
The title compound, C38H36N2O2S, has a heterocyclic ring that assumes a half-chair conformation. The phenyl rings of neighbouring molecules align forming alternating chains parallel to [100] within the crystal packing. The absolute stereochemistry of the crystal was confirmed to be R,S at the 1- and 3-positions, respectively, by proton NMR spectroscopy. A single intramolecular N—H⋯N hydrogen bond is observed
(S)-2-Benzyl-N-(2,6-diisopropylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
The asymmetric unit of the title compound, C29H34N2O, contains two molecules in which the N-containing six-membered rings assume different conformations viz. half-chair and envelope. Intermolecular N—H⋯O hydrogen bonding via the amide groups cross-link the molecules in the crystal structure
6,7-Dimethoxy-3-methoxycarbonyl-1-(2-methoxyphenyl)-3,4-dihydroisoquinoline 2-oxide
In the title compound, C20H21NO6, an N-oxide-based organocatalyst, the N-containing six-membered ring adopts a twisted half-chair conformation. No hydrogen bonding or π–π stacking was found within the crystal structure
(1R,3S)-Methyl 2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
In the title compound, C26H27NO4, a precursor to novel chiral catalysts, the N-containing six-membered ring assumes a half-boat conformation. Various C—H⋯π interactions and intermolecular short contacts (C⋯H = 2.81–2.90 Å) link the molecules together in the crystal structure
(S)-Benzyl 3-phenylcarbamoyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
There are two independent molecules in the asymmetric unit of the title compound, C24H22N2O3. The heterocyclic ring assumes a twisted boat conformation and N—H⋯O interactions help to construct the three-dimensional network within the crystal packing
7,11,15,28-Tetrabromo-1,21,23,25-tetraphenethylresorcin[4]arene cavitand–acetone–chloroform (1/1.31/0.69) at 173 K
The crystal structure of the title compound, C64H52Br4O8·1.31C3H6O·0.69CHCl3, is described. The structure has been reported previously [Bryant, Blanda, Vincenti & Cram (1991). J. Am. Chem. Soc.
113, 2167–2172]; however, the lower data acquisition temperature results in an improved refinement model. In addition, the presence of residual acetone and (disordered) chloroform within the molecular structure of the title compound represents a new clathrate of the title compound. One half of the resorcin[4]arene cavitand molecule appears in the asymmetric unit; the complete resorcin[4]arene cavitand structure was generated across a mirror plane
(1S,3S)-Methyl 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
In the title compound, C19H21NO4, an organocatalyst with a tetrahydroisoquinoline backbone, the heterocyclic ring assumes a half-boat conformation. The dihedral angle between the aromatic rings is 82.93 (8)°. In the crystal, molecules are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming a layer parallel to (10)
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