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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.

ABSTRACT: 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.

SUBMITTER: Lough AJ

PROVIDER: S-EPMC3470332 | biostudies-literature | 2012 Oct

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.

Lough Alan J AJ Jack Kelsey K Tam William W

Acta crystallographica. Section E, Structure reports online 20120922 Pt 10

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. ...[more]

PMID: 23125745

Similar Datasets

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.

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Penta-cyclo-[8.2.1.1(4,7).0(2,9).0(3,8)]tetra-deca-5,11-diene.

Project description:The title compound, C(14)H(16), was prepared through [2 + 2] cyclo-addition of norbornadiene. There are two independent mol-ecules in the asymmetric unit: each is centrosymmetric with the centroid of the four-membered ring located about an inversion center. Each mol-ecule possesses an exo-trans-exo conformation.

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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

3,8-Dimethyl-4,7-diaza-deca-3,7-diene-2,9-dione dioxime.

Project description:The complete mol-ecule of the title compound, C(10)H(18)N(4)O(2), is generated by a crystallographic inversion centre at the mid-point of the central C-C bond. The two oxime groups have an E configuration. In the crystal, mol-ecules are linked through inter-molecular O-H?N hydrogen bonds.

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3,8-Bis(4-chloro-phen-yl)-4,7-dimethyl-tricyclo-[4.2.2.0]deca-3,7-diene.

Project description:The title tricyclic diene, C(24)H(22)Cl(2), is the product of thermal ring-opening of a corresponding basketane (penta-cyclo-[4.4.0.0(2,5).0(3,8).0(4,7)]deca-ne) derivative. The cyclo-butene ring is planar to within 0.0032?(12)?Å and its geometry is normal. The two 4-chloro-phenyl groups are oriented in an approximately face-to-face conformation with a dihedral angle of 44.14?(6)° between them. The 4-chloro-phenyl group bonded to the cyclo-butene ring lies almost in the plane of the cyclo-butene ring, with a dihedral angle of 8.29?(17)° between the ring planes. The average intra-molecular C?C distance between the two C=C bonds is 2.92?Å. In the crystal structure, the mol-ecules are well separated with no close C-H?Cl or C-H?? inter-molecular inter-actions.

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5,7,7,12,14,14-Hexamethyl-4,8-diaza-1,11-diazo-niocyclotetra-deca-4,11-diene diiodide dihydrate.

Project description:The asymmetric unit of the title compound, C(16)H(34)N(4) (2+)·2I(-)·2H(2)O, contains one half-cation, one iodide anion and one water mol-ecule. The cation has crystallographically imposed centrosymmetric symmetry. Despite some differences in the unit-cell dimensions, packing analysis on a cluster of 15 cations and a comparison of the hydrogen bonding suggests that this compound is isostructural with its bromide analogue. Inter-molecular hydrogen bonding forms eight-membered [H-O-H⋯I](2) and [H-N-H⋯I](2) rings and creates a sheet structure.

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1,4,6,9-Tetra-tert-butyl-2,7-dioxa-tricyclo-[6.3.0.0(3,6)]deca-3,8-diene.

Project description:The title compound, C(24)H(40)O(2), lies on an inversion center with a half-mol-ecule in the asymmetric unit. The central dioxane ring adopts a chair conformation. The four-membered ring is slightly puckered with a butterfly angle of 13.50 (14)°.

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5,5,7,12,14,14-Hexamethyl-1,8-diaza-4,11-diazo-niacyclo-tetra-deca-4,11-diene dichloride trihydrate.

Project description:In the title compound, C(16)H(34)N(4) (2+)·2Cl(-)·3H(2)O, the two protonated N atoms in the macrocyclic ring of the dication are located at diagonally opposite positions. There are two intramolecular N-H⋯N hydrogen bonds in the cation. The crystal structure features O-H⋯Cl, O-H⋯O, C-H⋯Cl and N-H⋯Cl hydrogen bonds.

| S-EPMC3344587 | biostudies-literature

Crystal structure of 2,9-diphenyl-17λ(6)-thia-tetra-cyclo-[8.7.0.0(3,8).0(11,16)]hepta-deca-1(10),2,4,6,8,11(16),12,14-octa-ene-17,17-dione.

Project description:The title compound, C28H18O2S, is composed of a naphthalene ring system fused with a benzo-thio-phene ring and attached to two phenyl rings. The phenyl rings make dihedral angles of 70.92 (8) and 79.23 (8)° with the essentially planar naphthalene ring system (r.m.s. deviation = 0.031 Å). There is an intra-molecular C-H⋯π inter-action present. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds which generate C(7) zigzag chains running parallel to [10-1]. The chains are linked via further C-H⋯π inter-actions, forming a three-dimensional structure.

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(meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene)nickel(II) dibromide dihydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(16)H(32)N(4))]Br(2)·2H(2)O, consists of one half [Ni(C(16)H(32)N(4))](2+) cation, one Br(-) anion and one water mol-ecule of crystallization. The Ni(II) ion lies on an inversion centre in a square-planar environment formed by the four macrocyclic ligand N atoms. In the crystal structure, the cations, anions and water mol-ecules are linked via inter-molecular N-H⋯Br and O-H⋯Br hydrogen bonds, forming discrete chains with set-graph motif D(2)D(2) (2)(7)D(2) (1)(3)D(3) (2)(8). The water mol-ecules and Br(-) ions are linked with set-graph motif R(4) (2)(8).

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