574 research outputs found

    4,6,10,12,16,18,22,24-Octa-O-methyl-2,8,14,20-tetra­pentylresorcin[4]arene

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    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

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    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

    (S)-2-Benzyl-N-(2,6-diisopropyl­phen­yl)-1,2,3,4-tetra­hydro­isoquinoline-3-carboxamide

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    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

    7,11,15,28-Tetra­methyl-1,21,23,25-tetra­kis(2-phenyl­ethyl)resorcin[4]arene ethyl acetate clathrate

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    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

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    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

    6,7-Dimeth­oxy-3-meth­oxy­carbonyl-1-(2-meth­oxy­phen­yl)-3,4-dihydro­isoquinoline 2-oxide

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    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

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    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

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    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

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    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

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    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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