Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,15:21,35-Bis(oxydiethyl-ene)-5,8,11,18,25,28,31,38-octa-oxa-1,15,21,35-tetra-azacyclo-tetra-decane-16,20,36,40-tetra-one-benzene (1/2): a macrotricyclic tetra-lactam.

ABSTRACT: The macrotricyclic title compound, C(36)H(64)N(4)O(14)·2C(6)H(6), is located on a crystallographic center of symmetry. The mol-ecule has four tertiary amide bridgehead atoms and consists of two unsymmetrical 20-membered diaza-tetra-oxamacrocycles (N(2)O(4) donor atom set) connected through the N atoms by two lateral oxydiethyl-ene bridges. The bridging subunits, together with the short bridging strand (NCCOCCN) from each monocycle, define a 24-membered ring (N(4)O(4) donor atom set) that forms a central cavity.

SUBMITTER: Smith GL

PROVIDER: S-EPMC2977422 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,15:21,35-Bis(oxydiethyl-ene)-5,8,11,18,25,28,31,38-octa-oxa-1,15,21,35-tetra-azacyclo-tetra-decane-16,20,36,40-tetra-one-benzene (1/2): a macrotricyclic tetra-lactam.

Smith Gary L N GL Nguyen Tam T Powell Douglas R DR Taylor Richard W RW

Acta crystallographica. Section E, Structure reports online 20090718 Pt 8

The macrotricyclic title compound, C(36)H(64)N(4)O(14)·2C(6)H(6), is located on a crystallographic center of symmetry. The mol-ecule has four tertiary amide bridgehead atoms and consists of two unsymmetrical 20-membered diaza-tetra-oxamacrocycles (N(2)O(4) donor atom set) connected through the N atoms by two lateral oxydiethyl-ene bridges. The bridging subunits, together with the short bridging strand (NCCOCCN) from each monocycle, define a 24-membered ring (N(4)O(4) donor atom set) that forms a ...[more]

PMID: 21583610

Similar Datasets

1,4,10,13-Tetra-oxa-7,16-diazo-nia-cyclo-octa-decane bis-(1H-pyrrole-2-carboxyl-ate).

Project description:In the title salt, C12H28N2O4 (2+)·2C5H4NO2 (-), the 1,4,10,13-tetra-oxa-7,16-di-aza-cyclo-octa-decane dication possesses inversion symmetry. In the crystal, the pyrrole-carboxyl-ate anions are linked via pairs of N-H?O hydrogen bonds, forming inversion dimers. These dimers are linked by the dications, via N-H?O hydrogen bonds, forming chains propagating along [110].

| S-EPMC3770382 | biostudies-literature

2,10-Bis(3-bromo-phen-yl)-3,7,11,15-tetra-oxa-8,16-diaza-tricyclo-[12.2.1.1]octa-deca-1(16),6(18),8,14(17)-tetra-ene.

Project description:The title compound, C(24)H(20)Br(2)N(2)O(4), is an 18-membered tricycle including two isoxazole rings. The asymmetric unit contains one half of the formula unit; a centre of inversion is located at the centroid of the compound. The dihedral angle between adjacent isoxazole and benzene rings is 84.0 (2)°. The compound displays intra- and inter-molecular ?-? stacking inter-actions between the isoxazole rings, the shortest centroid-centroid distances being 3.837?(3) and 3.634?(3)?Å, respectively. The mol-ecules are stacked in columns along the a axis with short Br?Br contacts [3.508?(1)?Å].

| S-EPMC3007534 | biostudies-literature

Bis(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N)(?-l-mal-ato-?O,O:O,O)dinickel(II) bis(perchlorate) monohydrate.

Project description:In the crystal structure of the title dinuclear compound, [Ni(2)(C(4)H(4)O(5))(C(16)H(36)N(4))(2)](ClO(4))(2)·H(2)O, the bridg-ing di-car-box-yl-ate dianion O,O'-chelates to two Ni atoms, both of which are also chelated by the N-macrocylic ligand. The Ni atoms exhibit a distorted octa-hedral coordination. N-H?O and O-H?O hydrogen bonds link the cations and the uncoordinated water mol-ecules into a layer structure; the perchlorate anions occupy the space between adjacent layers, and are only weakly linked to the layers. One of the perchlorate anions is disordered over two sets of sites in a 3:2 ratio.

| S-EPMC2969409 | biostudies-literature

(?(4)-Cyclo-octa-tetra-ene)(?(8)-cyclo-octa-tetra-ene)iodido-tantalum(V).

Project description:The title complex, [Ta(?(4)-C8H8)(?(8)-C8H8)I], lies across a crystallographic mirror plane that includes the Ta(V) atom and the iodide ligand. One cyclo-octa-tetra-ene (cot) ring is ?(4)-coordinating and is bis-ected by the mirror plane. The fold angle between the plane of the coordinating butadiene portion and the middle plane of the ring is 27.4?(4)°. An additional minor fold angle of 9.3?(7)° exists between the final plane in the ring and the middle plane. The other cot?ring is ?(8)-coordinating and is also cut by the mirror plane. In this case, the ring is disordered over the mirror plane, and one position is modeled with appropriate restraints and constraints with respect to distances, angles and displacement parameters (the second position is generated by symmetry). This ring is nearly planar, with an r.m.s. deviation of only 0.05?Å when all eight C atoms are included in the calculation. Pairs of inter-molecular ?(8)-cot?rings are parallel stacked and slightly off center, with a centroid-centroid distance of 3.652?Å. No other significant inter-molecular inter-actions are observed. The compound is of inter-est as the first structurally characterized mixed halogen-cot?complex of the group 5 metals and contains the longest terminal Ta-I distance [3.0107?(5)?Å] reported to date.

| S-EPMC4120567 | biostudies-literature

?-Hexa-thio-metadiphosphato-bis-[(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-?(6) O)rubidium] aceto-nitrile disolvate.

Project description:The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto-nitrile solvent mol-ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb(+) ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972?(1)?Å from the O atoms of the crown in the direction of the [P2S6](2-) moiety. The overall coordination number of the cation is eight, defined by the six crown ether O atoms and by two terminal S atoms of the [P2S6](2-) anion. The hexa-thio-metadiphosphate anion is built up from two tetra-hedral PS4 units joined together by a common edge. The crystal structure is characterized by alternating layers of [Rb(18-crown-6)]2[P2S6] and aceto-nitrile solvent mol-ecules stacked along [010].

| S-EPMC4004430 | biostudies-literature

3,10-C-meso-3,5,7,7,10,12,14,14-Octa-methyl-4,11-diaza-1,8-diazo-niacyclo-tetra-decane bis-(perchlorate).

Project description:The structure determination of the title salt, C(18)H(42)N(4) (2+)·2ClO(4) (-), reveals that protonation has occurred at diagonally opposite amine N atoms. Intra-molecular N-H?N hydrogen bonds stabilize the conformation of the dication. In the crystal, the dications are bridged by perchlorate ions via N-H?O hydrogen bonds into supra-molecular chains propagating along the c axis and weak C-H?O inter-actions cross-link the chains.

| S-EPMC3007925 | biostudies-literature

(1,4,7,10,13,16-Hexaoxa-cyclo-octa-decane-?(6) O)bis-(tetra-hydro-furan-?O)potassium bis-[(1,2,3,4-?)-anthracene]cobalt(-I) tetra-hydro-furan monosolvate.

Project description:The asymmetric unit of the title compound, [K(C12H24O6)(C4H8O)2][Co(C14H10)2]·C4H8O, consists of one cationic potassium complex, one anionic cobalt dianthracene complex and one tetra-hydro-furan solvent mol-ecule. The potassium cation is situated at the centre of an 18-crown-6 mol-ecule and between two tetra-hydro-furan mol-ecules, the latter coordin-ating above and below the mean plane formed by the O atoms of the crown ether mol-ecule. The Co atom is coordinated by eight C atoms of two anthracene mol-ecules in an ?(4) manner. The third free tetra-hydro-furan mol-ecule shows orientational disorder on two partially occupied positions [occupancy ratio 0.561?(8):0.439?(8)].

| S-EPMC3914043 | biostudies-literature

catena-Poly[[octa-aqua-bis-(?(4)-benzene-1,3,5-tricarboxyl-ato)trizinc] tetra-hydrate].

Project description:In the title compound, {[Zn(3)(C(9)H(3)O(6))(2)(H(2)O)(8)]·4H(2)O}(n), there are two crystallographically independent Zn(II) ions. One presents a trigonal-bipyramidal coordination geometry defined by five O atoms [three from two carboxyl-ate groups of two benzene-1,3,5-tricarboxyl-ate (BTC) ligands and the other two deriving from three water mol-ecules], while the other lies on an inversion centre and exists in a slightly distorted octa-hedral coordination geometry defined by six O atoms (two from two carboxyl-ate groups of two BTC ligands and the others from four water mol-ecules). A three-dimensional framework is further strengthened via O-H?O hydrogen-bonding inter-actons.

| S-EPMC3089220 | biostudies-literature

7,14-Bis(4-methoxy-phen-yl)-11,11-dimethyl-1,4,10,12-tetra-oxa-dispiro-[4.2.5.2]penta-decane-9,13-dione.

Project description:In the title compound, C(27)H(30)O(8), the cyclo-hexane ring is in a chair conformation, while the five-membered ring adopts an envelope conformation. The 1,3-dioxane ring is oriented with respect to the benzene rings at dihedral angles of 53.38?(3) and 55.31?(3)°, while the dihedral angle between the benzene rings is 71.56?(3)°. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules into chains.

| S-EPMC2977755 | biostudies-literature

1,3,5,7,9,11,13,15-Octa-azapenta-cyclo-[9.5.1.1.0.0]octa-decane-4,8,12,16-tetrone monohydrate: a methyl-ene-bridged glycoluril dimer.

Project description:In the title compound, C(10)H(12)N(8)O(4)·H(2)O, prepared from the reaction of glycoluril with paraformaldehyde, the organic molecule has mm symmetry. The asymmetric unit comprises one quarter of the mol-ecule and a half-mol-ecule of water. The dimer is formed by bridging two glycoluril mol-ecules with methyl-ene groups at the 1 and 6 positions. In the crystal structure, mol-ecules are linked via N-H?O and O-H?O hydrogen bonds, forming a two-dimensional framework.

| S-EPMC2960615 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data