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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.

ABSTRACT: 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.

SUBMITTER: Lough AJ

PROVIDER: S-EPMC3470331 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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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.

Lough Alan J AJ Jack Kelsey K Tam William W

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

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. ...[more]

PMID: 23125744

Similar Datasets

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

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.

| S-EPMC3470317 | 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

3,8-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.

| S-EPMC3050210 | biostudies-literature

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.

| S-EPMC2960769 | biostudies-literature

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)°.

| S-EPMC3569264 | biostudies-literature

Crystal structure of 2,9-diphenyl-17?(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?? 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?? inter-actions, forming a three-dimensional structure.

| S-EPMC4186134 | biostudies-literature

(1'S,12'R,13'S,17'S)-15',15'-Dimethyl-1,2-dihydro-11',14',16',18'-tetra-oxa-7'-aza-spiro-[indole-3,8'-penta-cyclo-[10.6.0.0(2,9).0(3,7).0(13,17)]octa-deca-ne]-2,10'-dione.

Project description:In the title compound, C22H24N2O6, the indole ring has a twist conformation and the tetra-hydro-2H-pyran-2-one ring a half-chair conformation. One of the pyrrolidine rings adopts an envelope conformation on the N atom, while the other has a twist conformation; the 'butterfly' angle between their mean planes is 62.98?(11)°. The dioxolane ring adopts a twist conformation and the tetra-hydro-furan ring has an envelope conformation on the C atom in the fused tetra-hydro-2H-pyran-2-one ring adjacent to the O atom of the tetra-hydro-furan ring. The 'butterfly' angle between the mean planes of these two five-membered rings is 69.14?(10)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming chains along the a axis.

| S-EPMC3629507 | biostudies-literature

Crystal structure of 6,6,12,12-tetra-chloro-tri-cyclo-[8.2.0.0(4,7)]dodecane-5,11-dione.

Project description:The asymmetric unit of the title compound, C12H12Cl4O2, contains two crystallographically independent mol-ecules with almost identical conformations (r.m.s. overlay fit for the non-hydrogen atoms = 0.059 Å). In each mol-ecule, the central eight-membered ring has a distorted boat configuration, and two non-planar four-membered rings are fused on either side of the eight-membered ring. A weak C-H⋯O hydrogen bond links the two independent mol-ecules. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (001).

| S-EPMC4555426 | biostudies-literature

2,9-Dimethyl-4,7-diphenyl-1,10-phenanthrolin-1-ium tetra-chloridoaurate(III).

Project description:Both the cation and anion of the title compound, (C(26)H(21)N(2))[AuCl(4)], are disposed about a plane of mirror symmetry. The 2,9-dimethyl-4,7-diphenyl-1,10-phenanthrolinium ring is oriented at a dihedral angle of 44.2?(1)° with respect to the planar phenyl ring systems. The Au(III) atom has a square-planar environment defined by four Cl atoms. The crystal structure is stabilized by C-H?? and Au?? ring-metal (3.551?Å) inter-actions. In the crystal structure, the mol-ecules stack along the c axis via N-H?N hydrogen-bond inter-actions.

| S-EPMC2977548 | biostudies-other

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