230 research outputs found
Dimethyl 11,13-dimethyl-16-[1,2-bis(methoxycarbonyl)ethenyl]-12-oxo-16,17-dioxa-18-azahexacyclo[7.5.1.11,4.16,9.110,14.05,15]octadeca-2,7-diene-2,3-dicarboxylate
The title compound, C27H29NO11, is a product of the tandem ‘domino’ Diels–Alder reaction. The molecule comprises a fused hexacyclic system containing four five-membered rings (two dihydrofuran and two tetrahydrofuran) in the usual envelope conformations and two six-membered rings (tetrahydropyridinone and piperidine) adopting slightly flattened boat and chair conformations, respectively. The dispositions of the carboxylate substituents relative to each other are determined by both steric reasons and intermolecular C—H⋯O hydrogen bonding and attractive antiparallel C=O⋯C=O interactions [C⋯O = 2.995 (2) Å]
2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetraazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodecaene chloroform disolvate
The macrocycle of the title compound, C36H24N4O3S·2CHCl3, contains a rigid framework with the nitrogen and oxygen heteroatoms pointing in towards the center of the macrocyclic cavity. The macrocycle is essentially planar (r.m.s. deviation = 0.027 Å) except for the thiophene ring. The dihedral angle between the thiophene ring plane and the mean plane of the central macrocyclic core including all atoms except sulfur is 21.6 (1)°. Four intramolecular hydrogen bonds occur: two are between the amide hydrogen atoms and the Schiff base nitrogen atoms, while the others are between the amide hydrogen atoms and the sulfur atom of the thiophene. The two solvate chloroform molecules are bound to the carbonyl oxygen atoms of the ligand by weak C—H⋯O hydrogen bonding. In addition, the structure reveals intermolecular Cl⋯Cl close contacts [3.308 (2), 3.404 (2) and 3.280 (2) Å] between the chloroform solvate molecules. In the crystal, the macrocycles form layers parallel to (101), with an interlayer distance of 3.362 (3) Å. This short distance is determined by the stacking interactions between the amide carbonyl and imine fragments of neighboring ligands
1-Methyl-2,3-dihydro-1H-benzimidazole-2-selone
The title compound C8H8N2Se, is the product of the reaction of 2-chloro-1-methylbenzimidazole with sodium hydroselenide. The molecule is almost planar (r.m.s. deviation = 0.041 Å) owing to the presence of the long chain of conjugated bonds (Se=C—NMe—C=C—C=C—C=C—NH). The C=Se bond length [1.838 (2) Å] corresponds well to those found in the close analogs and indicates its pronounced double-bond character. In the crystal, molecules form helicoidal chains along the b axis by means of N—H⋯Se hydrogen bonds
Dimethyl 2-[22,24-dimethyl-23-oxo-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate
The title compound, C29H33NO8, is a product of the Michael addition of the cyclic secondary amine subunit of the aza-14-crown-4 ether to dimethyl acetylenedicarboxylate. The piperidinone ring exhibits a distorted chair conformation, and the dimethyl ethylenedicarboxylate fragment has a cis configuration with a dihedral angle of 78.96 (5)° between the two carboxylate groups. The crystal packing is stabilized by weak C—H⋯O hydrogen bonds
(2E,25E)-11,14,17,33,36,39,42-Heptaoxapentacyclo[41.4.0.05,10.018,23.027,32]heptatetraconta-1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetradecaene-4,24-dione
The title compound, C40H40O9, is a product of the double crotonic condensation of bis(2-acetylphenoxy)-3-oxapentane with bis(2-formylphenoxy)-3,6-dioxaoctane. The title macromolecule includes the 31-crown-7-ether skeletal unit and adopts a saddle-like conformation. The two ethylene fragments have E configurations. The volume of the internal cavity of the macrocycle is approximately 125 Å3. In the crystal, the molecules are arranged at van der Waals distances
Methyl 4,5-diacetoxy-1-oxo-2-phenylperhydro-4,6-epoxycyclopenta[c]pyridine-7-carboxylate ethanol solvate
The title compound, the product of an acid-catalysed Wagner–Meerwein skeletal rearrangement, crystallizes as an ethanol monosolvate, C20H21NO8·C2H6O. The title molecule comprises a fused tricyclic system containing two five-membered rings (cyclopentane and tetrahydrofuran) in the usual envelope conformations and one six-membered ring (piperidinone) adopting a flattened twist–boat conformation
N,N′-Bis(2-aminophenyl)-3,4-diphenylthiophene-2,5-dicarboxamide acetonitrile solvate
In the title solvate, C30H24N4O2S·CH3CN, the substituted thiophene possesses approximate Cs(m) intrinsic symmetry, with the mirror plane passing through the S atom and the mid-point of the (Ph)C—C(Ph) bond. Despite the main backbone of the molecule being a long chain of conjugated bonds, it adopts a non-planar conformation due to the presence of various intra- and intermolecular hydrogen bonds. The hydrogen bonds result in twist configurations for both the amido and aminophenyl fragments relative to the central thiophene ring. There are two intramolecular Namine—H⋯O hydrogen bonds within the thiophene-2,5-dicarboxamide molecule that form seven-membered rings. In the crystal, the thiophene-2,5-dicarboxamide molecules form inversion dimers by four amide–amine N—H⋯N hydrogen bonds. The dimers are further linked into layers propagating in (100) both directly (via Namine—H⋯O hydrogen bonds) and through the acetonitrile solvate molecules (via amine–cyano N—H⋯N and CMe—H⋯O interactions)
rac-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-2H-4,5,6,7-tetrahydroindazol-1-ium chloride
The structure of the title compound, C17H21N2O2
+·Cl−, is of interest with respect to its biological activity. The title compound comprises an organic cation and a chloride anion in the asymmetric unit. The positive charge is localized in a pyrazole moiety forming a pyrazolium cation. The structure displays intermolecular O—H⋯Cl and N—H⋯Cl hydrogen bonding
Methyl (9aR*,10S*,11R*,13aS*,13bS*)-9-oxo-6,7,9,9a,10,11-hexahydro-5H,13bH-11,13a-epoxypyrrolo[2′,1′:3,4][1,4]diazepino[2,1-a]isoindole-10-carboxylate
The title compound, C17H18N2O4, is the methyl ester of the adduct of intramolecular Diels–Alder reaction between maleic anhydride and 1-(2-furyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine. The molecule comprises a fused pentacyclic system containing four five-membered rings (viz. pyrrole, 2-pyrrolidinone, tetrahydrofuran and dihydrofuran) and one seven-membered ring (1,4-diazepane). The pyrrole ring is approximately planar (r.m.s. deviation = 0.003 Å) while the 2-pyrrolidinone, tetrahydrofuran and dihydrofuran five-membered rings have the usual envelope conformations. The central seven-membered diazepane ring adopts a boat conformation. In the crystal, molecules are bound by weak intermolecular C—H⋯O hydrogen-bonding interactions into zigzag chains propagating in [010]. In the crystal packing, the chains are stacked along the a axis
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