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Crystal structure of dimethyl 3,4,5,6-tetra-phenyl-cyclo-hexa-3,5-diene-1,2-di-carboxyl-ate.

ABSTRACT: In the title compound, C34H28O4, the cyclo-hexa-diene ring has a screw-boat conformation with a torsion angle between the double bonds being on average ca 15° [15.2 (3) and -15.3 (3) in the two independent mol-ecules]. All four phenyl rings in both mol-ecules are arranged in a propeller-like conformation. The two mol-ecules exhibit S,R- and R,S- chirality, respectively, and are connected via C-H⋯O inter-molecular inter-actions. In turn, these weakly bound dimers form the mol-ecular crystal.

SUBMITTER: Greenberg FH

PROVIDER: S-EPMC4992912 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Hexamethyl 13,14-dioxapenta-cyclo-[8.2.1.1(4,7).0(2,9).0(3,8)]tetra-deca-5,11-diene-1,4,5,6,11,12-hexa-carboxyl-ate.

Project description:In the title compound, C(24)H(24)O(14), the stereochemistry at the cyclo-butane ring is cis-anti-cis and the -COOMe groups in the bicyclic rings are syn to each other. The mol-ecule lies on a twofold rotation axis. In the crystal, weak C-H?O hydrogen bonds connect mol-ecules into chains along [001], forming R(2) (2)(10) rings.

| S-EPMC3470332 | biostudies-literature

Crystal structure of dimethyl 2,5-bis-[(di-phen-oxy-phosphor-yl)-oxy]cyclo-hexa-1,4-diene-1,4-di-carboxyl-ate.

Project description:In the title compound, C34H30O12P2, which was synthesized via the esterification of dimethyl 2,5-dioxo-1,4-cyclo-hexa-nedi-carboxyl-ate with diphenyl chloro-phosphate, the mol-ecule has crystallographic inversion symmetry. The dihedral angles between the plane of the cyclo-hexa-1,4-diene ring and those of the two benzene rings of the substituent phosphate groups are 41.0?(1) and 89.5?(1)°, while that with the ester group is 3.1?(3)°. In the crystal, only weak inter-molecular C-H?O hydrogen bonds are present.

| S-EPMC4459327 | biostudies-literature

Ethyl 2-amino-4,6-bis-(4-fluoro-phen-yl)cyclo-hexa-1,3-diene-1-carboxyl-ate.

Project description:In the title compound, C(21)H(19)F(2)NO(2), the cyclo-hexa-1,3-diene ring is in a distorted envelope conformation. The dihedral angles between the mean planes of the diene moiety and the two fluoro-phenyl rings are 42.8?(2) and 75.0?(5)°. The two fluoro-phenyl rings are inclined to one another by 87.0?(3)°. In the crystal, intra-molecular N-H?O hydrogen bonds and weak N-H?O and N-H?F inter-molecular inter-actions are observed forming an infinite two-dimensional network along [011].

| S-EPMC3297311 | biostudies-literature

Tetra-tert-butyl 13,14-dioxapenta-cyclo-[8.2.1.1(4,7).0(2,9).0(3,8)]tetra-deca-5,11-diene-5,6,11,12-tetra-carboxyl-ate.

Project description:The stereochemistry of the title compound, C(32)H(44)O(10), at the cyclo-butane ring is cis-anti-cis. The mol-ecule lies across an inversion center. In the crystal, weak C-H?O hydrogen bonds connect mol-ecules into chains along [100], forming R(2) (2)(6) rings.

| S-EPMC3470331 | biostudies-literature

Dimethyl 11,13-dimethyl-16-[1,2-bis-(methoxy-carbon-yl)ethen-yl]-12-oxo-16,17-dioxa-18-aza-hexa-cyclo-[7.5.1.1.1.1.0]octa-deca-2,7-diene-2,3-dicarboxyl-ate.

Project description:The title compound, C(27)H(29)NO(11), is a product of the tandem 'domino' Diels-Alder reaction. The mol-ecule comprises a fused hexa-cyclic system containing four five-membered rings (two dihydro-furan and two tetra-hydro-furan) in the usual envelope conformations and two six-membered rings (tetra-hydro-pyridinone and piperidine) adopting slightly flattened boat and chair conformations, respectively. The dispositions of the carboxyl-ate substituents relative to each other are determined by both steric reasons and inter-molecular C-H?O hydrogen bonding and attractive anti-parallel C=O?C=O inter-actions [C?O = 2.995?(2)?Å].

| S-EPMC2972130 | biostudies-literature

Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxyl-ate.

Project description:In the title compound, C(9)H(13)NO(2), there are two independent mol-ecules per asymmetric unit. The mol-ecules are very similar and almost planar, with the ethoxy-carbonyl group anti to the pyrrole N atom. The two independent mol-ecules are joined into dimeric units by strong hydrogen bonds between NH groups and carbonyl O atoms.

| S-EPMC2959273 | biostudies-literature

Tetra-methyl 1,4-dimethyl-13,14-dioxa-penta-cyclo-[8.2.1.1(4,7).0(2,9).0(3,8)]tetra-deca-5,11-diene-5,6,11,12-tetra-carboxyl-ate.

Project description:In the title compound, C(22)H(24)O(14), the relative stereochemistry at the cyclo-butane ring is cis-anti-cis and the methyl groups in the bicyclic rings are syn to each other. The two carboxyl-ate groups attached to the same -C=C- bond are disordered over two sets of sites in a 0.603?(2):0.397?(2) ratio. In the crystal, weak C-H?O hydrogen bonds connect mol-ecules into C(12) chains along [001] incorporating R(2) (2) (2)(10) rings.

| S-EPMC3470330 | biostudies-other

3,5-Dimethyl-2,6-diphenyl-3,4,5,6-tetra-hydro-2H-pyran-4-one.

Project description:The mol-ecular structure of the title compound, C(19)H(20)O(2), reveals a slightly distorted chair conformation for the tetra-hydro-pyran ring with the two methyl and two phenyl substituents in equatorial positions.

| S-EPMC2968444 | biostudies-literature

Ethyl 1,3,10,12-tetra-phenyl-19,20-dioxa-hexa-cyclo-[10.6.1.1.0.0.0]icosa-4(9),5,7,13(18),14,16-hexa-ene-2-carboxyl-ate.

Project description:The title compound, C(45)H(34)O(4), is the product of a tandem 'pincer' Diels-Alder reaction consisting of two consecutive [4 + 2] cyclo-additions between two 2-benzofuran units and ethyl propiolate. The mol-ecule comprises a fused hexa-cyclic system containing four five-membered rings, which are in the usual envelope conformation, and two six-membered rings. In addition, four phenyl rings are attached to the hexa-cyclic system. The packing is stabilized by C-H?? inter-actions.

| S-EPMC3011453 | biostudies-literature

Tetra-kis(3,5-xylidinium) dihydrogen cyclo-hexa-phosphate dihydrate.

Project description:In the title compound, 4C(8)H(12)N(+)·H(2)P(6)O(18) (4-)·2H(2)O, the complete cyclo-hexa-phosphate anion is generated by inversion symmetry. Crystal cohesion and stability are supported by electrostatic inter-actions which, together with N-H?O and O-H?O hydrogen bonds, build up a three-dimensional network.

| S-EPMC2980186 | biostudies-literature

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