Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6,7-Bis(bromo-meth-yl)-2,11,18,21,24,27-hexa-oxatetra-cyclo-[26.4.0.0.0]dotriaconta-1(28),4,6,8,12(17),13,15,29,31-nona-ene dichloro-methane monosolvate.

ABSTRACT: The title 20-crown-6 unit, C(28)H(30)Br(2)O(6)·CH(2)Cl(2), consisting of three benzo groups and triethyl-ene glycol was prepared from the reaction of 1,2,4,5-tetra-kis-(bromo-meth-yl)benzene and bis-phenol in the presence of sodium hydride. In the crystal, one O atom of the central ethyl-ene glycol in the triethyl-ene glycol unit exhibits an exo conformation as a result of intra-molecular C-H?O hydrogen bonds. The crown unit and the solvent mol-ecule are linked by weak C-H?O hydrogen bonds.

SUBMITTER: Beack HJ

PROVIDER: S-EPMC3295491 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

6,7-Bis(bromo-meth-yl)-2,11,18,21,24,27-hexa-oxatetra-cyclo-[26.4.0.0.0]dotriaconta-1(28),4,6,8,12(17),13,15,29,31-nona-ene dichloro-methane monosolvate.

Beack Hyun Jin HJ Yoo Seung Mee SM Kim Jae Eun JE Sim Wonbo W Lee Jai Young JY

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3

The title 20-crown-6 unit, C(28)H(30)Br(2)O(6)·CH(2)Cl(2), consisting of three benzo groups and triethyl-ene glycol was prepared from the reaction of 1,2,4,5-tetra-kis-(bromo-meth-yl)benzene and bis-phenol in the presence of sodium hydride. In the crystal, one O atom of the central ethyl-ene glycol in the triethyl-ene glycol unit exhibits an exo conformation as a result of intra-molecular C-H⋯O hydrogen bonds. The crown unit and the solvent mol-ecule are linked by weak C-H⋯O hydrogen bonds. ...[more]

PMID: 22412602

Similar Datasets

(2E,6E)-2,6-Bis(ferrocenyl-methyl-idene)cyclo-hexa-none dichloro-methane monosolvate.

Project description:In the title compound, [Fe(2)(C(5)H(5))(2)(C(18)H(16)O)]·CH(2)Cl(2), the C=C bonds both adopt E conformations. In one ferrocenyl group, the five-membered rings are in a near-eclipsed conformation, whereas in the other they are mutually rotated by ca 21.5°. The central cyclo-hexa-none ring adopts a sofa conformation. In the crystal, the dichloro-methane solvent moleucle forms C-H?O hydrogen bonds to the organometallic mol-ecules to generate [010] chains of alternating solvent and organometallic species.

| S-EPMC3414127 | biostudies-literature

10,16-Dichloro-6,20-dioxa-3,23-diaza-tetra-cyclo-[23.3.1.0.0]nona-cosa-1(29),7,9,11,14(19),15,17,25,27-nona-ene-4,22-dione methanol monosolvate.

Project description:In the title compound, C(25)H(22)Cl(2)N(2)O(4)·CH(3)OH, the macrocyclic mol-ecule adopts a slightly distorted C(2)-symmetric conformation. The macrocyclic mol-ecules are linked via N-H?O hydrogen bonds between the amide groups into chains extending along the [010] direction. The methanol mol-ecules bridge these chains via N-H?O and O-H?O hydrogen bonds with the formation of a two-dimensional polymeric structure parallel to (001). The methanol mol-ecule is disordered over two positions with the occupancy ratio of 9:1. The disorder of the solvent molecule is caused by weak intermolecular C-H?Cl hydrogen bonding.

| S-EPMC3297870 | biostudies-other

Chlordiazepoxide dichloro-methane monosolvate.

Project description:In the title compound (systematic name7-chloro-2-methyl-amino-5-phenyl-3H-1,4-benzodiazepine 4-oxide dichloro-meth-ane monosolvate), C(16)H(14)ClN(3)O·CH(2)Cl(2), the seven-membered ring adopts a boat conformation with the CH(2) group as the prow and the two aromatic C atoms as the stern. The dihedral angle between the benzene rings is 75.25 (6)°. The crystal structure features centrosymmetric pairs of chlordiazepoxide mol-ecules linked by pairs of N-H⋯O hydrogen bonds, which generate R(2) (2)(12) loops.

| S-EPMC3343976 | biostudies-literature

1-[(Z)-1-Bromo-2-(butyl-dichloro-?-tellan-yl)ethen-yl]cyclo-hex-1-ene.

Project description:The Te(IV) atom in the title compound, [Te(C(4)H(9))(C(8)H(10)Br)Cl(2)] or C(12)H(19)BrCl(2)Te, is in a distorted ?-trigonal-bipyramidal geometry, with the lone pair of electrons projected to occupy a position in the equatorial plane, and with the Cl atoms being mutually trans [172.48?(4)°]. Close intra-molecular [Te?Br = 3.3444?(18)?Å] and inter-molecular [Te?Cl = 3.675?(3)?Å] inter-actions are observed. The latter lead to centrosymmetric dimers which assemble into layers in the bc plane. The primary connections between layers are of the type C-H?Cl.

| S-EPMC3151772 | biostudies-literature

Crystal structure of 26-(4-methyl-phen-yl)-8,11,14,17-tetra-oxa-28-aza-tetra-cyclo[22.3.1.0(2,7).0(18,23)]hexa-cosa-2,4,6,18(23),19,21,24(1),25,27-nona-ene.

Project description:The title compound, C30H29NO4, is a tetra-cyclic system containing a 4-aryl-pyridine fragment, two benzene rings and an aza-17-crown-5 ether moiety, in a bowl-like arrangement. The pyridine ring is inclined to the 4-methyl-phenyl ring by 26.64?(6)°, and by 57.43?(6) and 56.81?(6)° to the benzene rings. The benzene rings are inclined to one another by 88.32?(6)°. In the crystal, mol-ecules are linked by pairs of C-H?N hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. The dimers are linked via a number of C-H?? inter-actions, forming a three-dimensional architecture.

| S-EPMC4908512 | biostudies-literature

(E)-3,3',4,4',7,7',8,8'-Octa-methyl-2H,2'H-1,1'-bi(cyclo-penta-[fg]acenaphthyl-enyl-idene)-2,2',5,5',6,6'-hexa-one dichloro-methane monosolvate.

Project description:The title compound, C(36)H(24)O(6)·CH(2)Cl(2), is a dimer of two essentially planar (r.m.s., deviations of fitted plane of 14 pyracene C atoms = 0.0539 and 0.0543?Å) tetra-cyclic pyracene frameworks (each with four methyl groups and three carbonyl groups on the peripheral carbon atoms) twisted along a central C=C bond with an angle of 50.78?(3)° at 90?K. There are notably long Csp(2)-Csp(2) bonds associated with the carbonyl groups, the longest being 1.601?(3)?Å between two carbonyl C atoms. There are also intermolecular carbonyl?carbonyl interactions of both parallel and antiparallel types, with C?O distances in the range 3.041?(3) to 3.431?(2)?Å. This compound is of inter-est with respect to the synthesis of fullerene fragments, such as corannulene and semibuckminsterfullerene derivatives (or 'buckybowls'), and is a side product of the previously reported oxidation reaction. Structural details, such as planarity analysis of fused rings, out-of-plane deviation of substituents, inter-molecular inter-actions, and longer than typical bond lengths, will be discussed as well as comparisons to structurally related compounds.

| S-EPMC3344573 | biostudies-literature

(±)-4,12,15,18,26-Penta-hydroxy-13,17-dioxahepta-cyclo-[14.10.0.0.0.0.0.0]hexa-cosa-1,3(14),6(11),7,9,15,19,21,23-nona-ene-5,25-dione monohydrate.

Project description:The title compound, C(24)H(14)O(9)·H(2)O, displays a cup-shaped form. The water mol-ecule is disordered over two set of sites with an occupancy ratio of 0.78:0.22. The mol-ecule of the compound has four stereocenters and corresponds to the SSRR/RRSS diastereoisomer. In the mol-ecule, the maximum dihedral angle between the planar benzene rings is 80.40 (4)°. The H atoms of the hy-droxy groups are engaged in hydrogen bonding, forming infinite chains parallel to the a axis. These chains are inter-linked through water mol-ecules, resulting in the formation of a two-dimensional network parallel to the (001) plane. Futhermore C-H⋯O, C-H⋯π and slipped π-π inter-actions result in the formation of a three-dimensional network.

| S-EPMC3099947 | biostudies-literature

Bis[(1S*,2S*)-trans-1,2-bis-(diphenyl-phosphin-oxy)cyclo-hexa-ne]chlorido-ruthenium(II) trifluoro-methane-sulfonate dichloro-methane disolvate.

Project description:The crystal structure of a racemic mixture of the title ruthenium(II) complex, [RuCl(C(30)H(30)O(2)P(2))(2)]CF(3)SO(3)·2CH(2)Cl(2), reveals that the coordination geometry about the coordinatively unsaturated metal centre is approximately trigonal-pyramidal, with the chlorine atom occupying one of the equatorial positions. The axial Ru-P bonds are longer than the equatorial Ru-P bonds and there is an acute P-Ru-P angle.

| S-EPMC2969446 | biostudies-literature

Tetra-kis(triphenyl-phosphane-κP)silver(I) trifluoro-methane-sulfonate dichloro-methane monosolvate.

Project description:In the title compound, [Ag(C(18)H(15)P)(4)]CF(3)O(3)S·CH(2)Cl(2), the Ag atom is coordinated by four P atoms from four PPh(3) ligands. The P-Ag-P angles are in the range 108.02 (6)-110.15 (6)°, which confirms the distorted tetra-hedral environment around the Ag atom.

| S-EPMC3246931 | biostudies-literature

2,9,16,19,22,25-Hexaoxatetra-cyclo-[24.4.0.2.0]dotriaconta-1(26),4,6,10(15),11,13,27,29,31-nona-ene.

Project description:The title 22-crown-6 unit, C(26)H(28)O(6), comprising of three benzo groups and triethyl-ene glycol, was prepared by the reaction of ?,?'-dibromo-p-xylene with 1,8-bis-(2-hydroxy-phen-oxy)-3,6-dioxaoctane in the presence of Cs(2)CO(3) with tetra-hydro-furan (THF) and recrystallized from dichloro-methane-hexane (1:20 v/v) at room temperature. In the mol-ecular structure, two O atoms of the central ethyl-ene glycol in the triethyl-ene glycol unit exhibit exo conformations due to intra-molecular C-H?O inter-actions. A number of C-H?O and C-H?? inter-molecular inter-actions contribute to the stabilization of the crystal packing.

| S-EPMC2970268 | 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