Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

10,21-Dimethyl-2,7,13,18-tetraphenyl-3,6,14,17-tetraazatricyclo[17.3.1.1]tetracosa-1(23),2,6,8(24),9,11,13,17,19,21-decaene-23,24-diol cyclohexane 0.33-solvate.

ABSTRACT: The title compound, C(46)H(40)N(4)O(2)·0.33C(6)H(12), was obtained unintentionally as a product of an attempted synthesis of a cadmium(II) complex of the [2,6-{PhSe(CH(2))(2)N=CPh}(2)C(6)H(2)(4-Me)(OH)] ligand. The full tetra-imino-diphenol macrocyclic ligand is generated by the application of an inversion centre. The macrocyclic ligand features strong intra-molecular O-H?N hydrogen bonds. The dihedral angles formed between the phenyl ring incorporated within the macrocycle and the peripheral phenyl rings are 82.99?(8) and 88.20?(8)°. The cyclo-hexane solvent mol-ecule lies about a site of [Formula: see text] symmetry. Other solvent within the lattice was disordered and was treated with the SQUEEZE routine [Spek (2009). Acta Cryst. D65, 148-155].

SUBMITTER: Asatkar AK

PROVIDER: S-EPMC3201359 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

10,21-Dimethyl-2,7,13,18-tetraphenyl-3,6,14,17-tetraazatricyclo[17.3.1.1]tetracosa-1(23),2,6,8(24),9,11,13,17,19,21-decaene-23,24-diol cyclohexane 0.33-solvate.

Asatkar Ashish K AK Verma Vinay K VK Jain Tripti A TA Singh Rajendra R Gupta Sushil K SK Butcher Ray J RJ

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

The title compound, C(46)H(40)N(4)O(2)·0.33C(6)H(12), was obtained unintentionally as a product of an attempted synthesis of a cadmium(II) complex of the [2,6-{PhSe(CH(2))(2)N=CPh}(2)C(6)H(2)(4-Me)(OH)] ligand. The full tetra-imino-diphenol macrocyclic ligand is generated by the application of an inversion centre. The macrocyclic ligand features strong intra-molecular O-H⋯N hydrogen bonds. The dihedral angles formed between the phenyl ring incorporated within the macrocycle and the peripheral ph ...[more]

PMID: 22065495

Similar Datasets

Dichlorido[?-10,21-dimethyl-2,7,13,18-tetra-phenyl-3,6,14,17-tetra-aza-tricyclo-[17.3.1.1]tetra-cosa-1(23),2,6,8,10,12(24),13,17,19,21-deca-ene-23,24-diolato]dicopper(II) ethanol hemisolvate dihydrate.

Project description:The dinuclear title complex, [Cu(2)(C(46)H(38)N(4)O(2))Cl(2)]·0.5C(2)H(5)OH·2H(2)O, is located on crystallographic inversion centres with two half-mol-ecules in the asymmetric unit. The two Cu(II) atoms are coordinated by a hexa-dentate dianionic ligand formed in situ from the condensation of two tridentate ligands by four imine N atoms and two bridging phenolate O atoms along with two Cl atoms at axial positions. The coordination geometry around the metal atoms is distorted square-pyramidal (? = 0.185 and 0.199). The non-bonding Cu?Cu distances are 2.9556?(12) and 2.9506?(12)?Å in the two dimers. The packing is stabilized through solvent-mediated inter-molecular O-H?O and O-H?Cl hydrogen bonds. The diamine chain of one of the dimers is disordered over two positions in a 0.680?(5):0.320?(5) ratio.

| S-EPMC3011775 | biostudies-literature

[?-10,21-Dimethyl-3,6,14,17-tetra-aza-tricyclo-[17.3.1.1]tetra-cosa-1(23),8(24),9,11,19,21-hexa-ene-23,24-diolato-?N,N,O,O:N,N,O,O]bis-[(nitrato-?O,O')nickel(II)].

Project description:In the title centrosymmetric dinuclear nickel complex, [Ni(2)(C(22)H(30)N(4)O(2))(NO(3))(2)], each of the two Ni(II) atoms has a distorted octa-hedral geometry, defined by two N atoms and two O atoms from the macrocyclic ligand and two O atoms from a chelating nitrate anion. The two Ni atoms are bridged by two phenolate O atoms, forming a four-membered Ni(2)O(2) ring.

| S-EPMC2977579 | biostudies-literature

[μ-10,21-Dimethyl-3,6,14,17-tetra-za-tricyclo-[17.3.1.1]tetra-cosa-1(23),2,6,8,10,12 (24),13,17,19,21-deca-ene-23,24-diolato-κN,N,O,O:κN,N,O,O]bis-(perchlorato-κO)dimanganese(II).

Project description:In the centrosymmetric and dinuclear title complex, [Mn(2)(C(22)H(22)N(4)O(2))(ClO(4))(2)], the two Mn atoms are bridged by two phenolate O atoms of the N(4)O(2) macrocycle with an Mn⋯Mn distance of 2.9228 (11) Å. The distorted square-pyramidal N(2)O(3) coordination geometry is completed by an O atom derived from a perchlorate anion.

| S-EPMC2959967 | biostudies-literature

[?-(4S,5S,15S,16S)-10,21-Di-tert-butyl-4,5,15,16-tetra-phenyl-3,6,14,17-tetra-aza-tricyclo-[17.3.1.1]tetra-cosa-1(23),8,10,12(24),19,21-hexa-ene-23,24-diolato-?N,N,O,O:NN,O,O]bis-[(acetato-?O)zinc(II)] ethanol disolvate.

Project description:In the title compound, [Zn(2)(C(36)H(42)N(4)O(2))(CH(3)COO)(2)]·2CH(3)CH(2)OH, a centrosymmetric dinuclear zinc macrocyclic complex is accompanied by two half-occupied ethanol solvent molecues resulting in a 1:2 macrocycle-solvent composition. The Zn(II) atom has a square-pyramidal geometry arising from an N(2)O(3) donor set, being coordinated by two N atoms and two O atoms from the macrocyclic ligand in the equatorial sites and one O atom from an acetate anion in the apical site. The two Zn(II) atoms are linked by two phenolate O atoms, generating a four-membered Zn(2)O(2) ring at the centre of the macrocycle. The tert-butyl group shows rotational disorder over two sets of sites in a 0.552?(12):0.448?(12) ratio. In the crystal, N-H?O and O-H?O hydrogen bonds are seen and a short intra-molecular C-H?O contact occurs.

| S-EPMC2969517 | biostudies-literature

3-exo-Chloro-8-oxabicyclo-[3.2.1]oct-6-ene-2,4-diol chloro-form 0.33-solvate.

Project description:The title compound, 3C(7)H(9)ClO(3)·CHCl(3), crystallizes with mol-ecules of 3-exo-chloro-8-oxabicyclo-[3.2.1]oct-6-ene-2,4-diol (A) and chloro-form in a 3:1 ratio, in the space group R3m. Mol-ecules of A straddle a crystallographic mirror plane, whereas the chloro-form mol-ecules (C and H atoms) lie additionally on the threefold axis. The mol-ecules of A are linked into right- and left-helical chains by means of O-H?O hydrogen bonds, thus forming columns running along the c axis. Six inter-penetrated columns form a channel in which the solvent mol-ecules (chloro-form) are located.

| S-EPMC2969453 | biostudies-literature

N-(2,6-Diisopropyl-phen-yl)formamide toluene 0.33-solvate.

Project description:The crystal packing of the title compound, C(13)H(19)NO·0.33C(7)H(8), shows a channel at [001], which contains grossly disordered toluene solvent mol-ecules. The angle between the benzene ring and the mean plane of the formamide group is 71.1?(1)°. The amide groups of neighbouring mol-ecules are connected by N-H?O hydrogen bonds, forming 2(1) helical chains propagating along [001]. Mol-ecules are also connected by weak inter-molecular C-H?O hydrogen bonds, forming 6(1) helices.

| S-EPMC3344661 | biostudies-literature

1,3-Bis(2-ethoxy-phen-yl)triazene methanol 0.33-solvate.

Project description:There are three independent mol-ecules of 1,3-bis-(2-ethoxy-phen-yl)triazene and a mol-ecule of methanol in the asymmetric unit of the title compound, C(16)H(19)N(3)O(2)·0.33CH(3)OH. Two mol-ecules related by a non-crystallographic pseudo-twofold rotation axis are linked via distinct inter-molecular N-H?N hydrogen bonds, leading to the formation of a dimer with an R(2) (2)(8) graph set. The third mol-ecule is connected to the methanol mol-ecule by O-H?N and N-H?O hydrogen bonds. There are a number of weak C-H?? inter-actions, with H?? distances ranging from 2.74 to 2.89?Å between the C-H groups and the aromatic benzene rings.

| S-EPMC2970393 | biostudies-literature

Bis(1,3-dimethyl-1H-imidazolium) hexa-fluoro-silicate methanol 0.33-solvate.

Project description:The title compound, 6C5H9N2 (+)·3SiF6 (2-)·CH3OH, (I), was prepared by recrystallization of the crude salt from methanol along with solvent-free 2C5H9N2 (+)·SiF6 (2-) (II). Crystals of these solvatomorphs can be separated manually. The solvate (I) crystallizes in a rare hexa-gonal space group P6/mcc. Its asymmetric unit comprises one half of an imidazolium cation bis-ected by the crystallographic m-plane, one-sixth and one-twelfth of two crystallographically independent SiF6 (2-) dianions (Si atoms are located on the 3.2 and 6/m inversion centres), and one-twelfth of a methanol mol-ecule (C atoms are situated on the 622 inversion centres, other atoms are disordered between general positions). In (I), all F atoms of 3.2-located SiF6 (2-) dianions participate in the formation of symmetry-equivalent contacts to the H atoms of imidazolium fragments, thus forming rod-type ensembles positioned on the -6 axes. These 'pillar' rods are, in turn, F?H inter-linked through SiF6 (2-) dianions disordered around the 6/m centres. The twelvefold disordered methanol mol-ecules are appended to this array by O-H?F hydrogen bonds to the 6/m located SiF6 (2-) dianions. In terms of graph-set notation, the first and second level networks in (I) are N 1 = C 2 (2)(7)[3R 4 (4)(14)]D 2 (2)(4) and N 2 = D 2 (2)(5) (C-H?O hydrogen bonds are not considered). After locating all symmetrically independent atoms in the cation and anions, there remained a strong (> 3 e Å(-3)) residual electron density peak located at the 622 inversion centre. Treatment of this pre-refined model with the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148-155] revealed two voids per unit cell, indicative of the presence of the solvent methanol mol-ecule disordered about the 622 inversion centre.

| S-EPMC3793724 | biostudies-literature

Post-pulse addition of trans-cyclohexane-1,2-diol improves electrotransfer mediated gene expression in mammalian cells.

Project description:Electric field mediated gene transfer is facing a problem in expression yield due to the poor transfer across the nuclear envelope. Trans-cyclohexane-1,2-diol (TCHD) was shown to significantly increase chemically mediated transfection by collapsing the permeability barrier of the nuclear pore complex. We indeed observed a significant increase in expression by electrotransfer when cells are treated post pulse by a low non toxic concentration of TCHD. This was obtained for different pulsing conditions, cell strains and plasmid constructs. An interesting improvement in cell viability can be obtained. This can significantly enhance the non-viral gene electrical delivery.

| S-EPMC5613639 | biostudies-literature

(E)-(25S)-23-Acetyl-5?-furost-22-ene-3?,26-diol.

Project description:The title steroid, C(29)H(46)O(4), is a furostene derivative with a C=C double-bond length of 1.353?(3)?Å and an E configuration. The side chain is oriented toward the ? face of the A-E steroidal nucleus and presents a disordered terminal CH(2)-OH group [occupancies for resolved sites are 0.591?(9) and 0.409?(9)]. The methyl group at C20 attached to ring E is also oriented toward the ? face, avoiding steric hindrance with the carbonyl O atom of the acetyl group. The furostene and acetyl functionalities form an ?,?-unsaturated ketone system, with an s-cis configuration. All hydr-oxy and carbonyl groups are involved in weak inter-molecular hydrogen bonds. The absolute configuration was assigned from the synthesis.

| S-EPMC2960791 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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