Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Encapsulated di-chloro-ethane-mediated inter-locked supra-molecular polymeric assembly of A1/A2-dihydroxy-oct-yloxy pillar[5]arene 1,2-di-chloro-ethane monosolvate.

ABSTRACT: Crystals of 1-(1,4-dihy-droxy)-2,3,4,5-(1,4-dioct-yloxy)-pillar[5]arene, C₉₉H₁₅₈O₁₀·C₂H₄Cl₂, were grown from a 1,2-dicholoro-ethane/n-hexane solvent system. In the crystal, the encapsulated 1,2-di-chloro-ethane solvent is stabilized by C-H?? inter-actions and mediates the formation of an inter-locked supra-molecular polymer via C-H?Cl inter-actions.

SUBMITTER: Al-Azemi TF

PROVIDER: S-EPMC6176442 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Encapsulated di-chloro-ethane-mediated inter-locked supra-molecular polymeric assembly of A1/A2-dihydroxy-oct-yloxy pillar[5]arene 1,2-di-chloro-ethane monosolvate.

Al-Azemi Talal F TF Vinodh Mickey M Mohamod Abdirahman A AA Alipour Fatemeh H FH

Acta crystallographica. Section E, Crystallographic communications 20180925 Pt 10

Crystals of 1-(1,4-dihy-droxy)-2,3,4,5-(1,4-dioct-yloxy)-pillar[5]arene, C99H158O10·C2H4Cl2, were grown from a 1,2-dicholoro-ethane/n-hexane solvent system. In the crystal, the encapsulated 1,2-di-chloro-ethane solvent is stabilized by C-H⋯π inter-actions and mediates the formation of an inter-locked supra-molecular polymer via C-H⋯Cl inter-actions. ...[more]

PMID: 30319804

Similar Datasets

2,2'-Dihydroxy-N,N'-(ethane-1,2-di-yl)di-benzamide.

Project description:The asymmetric unit of the title compound, C(16)H(16)N(2)O(4), contains one half-mol-ecule, the whole mol-ecule being generated by an inversion center located at the mid-point of the C-C bond of the central ethane group. An intra-molecular O-H⋯O hydrogen bond forms an S(6) ring motif. In the crystal, mol-ecules are connected via N-H⋯O hydrogen bonds, generating infinite chains along [1-10].

| S-EPMC3569262 | biostudies-literature

Crystal structure and supra-molecular features of a bis-urea-functionalized pillar[5]arene.

Project description:The crystal structure of a bis-urea derivative based on A1/A2-functionalized pillar[5]arene (DUP) that encapsulates dimethyl formamide (DMF) inside the macrocyclic cavity is reported. The crystal structure of DUP·DMF, C63H70N4O12·C3H7NO, reveals that out of two urea functionalized spacers, one arm is oriented above the macrocyclic cavity with strong hydrogen-bonding inter-actions between the urea H atoms and DMF guest, whereas, the other arm is positioned away from the macrocycle, leading to inter-molecular hydrogen-bonding inter-actions between the urea H atoms of two adjacent pillar[5]arene macrocycles, resulting in the formation of a supra-molecular dimer.

| S-EPMC10626966 | biostudies-literature

Structural insights into 1,4-bis-(neopent-yloxy)pillar[5]arene and the pyridine host-guest system.

Project description:The crystal structure of 1,4-bis-(neopent-yloxy)pillar[5]arene, C95H140N2O10 (TbuP), featuring two encapsulated pyridine mol-ecules, reveals significant host-guest inter-actions. Inter-estingly, the pyridine guests are positioned near the neopent-yloxy substituents instead of the electron-rich aromatic core of the pillar[5]arene. This spatial arrangement suggests a preference for the pyridine mol-ecules to engage with the aliphatic regions of the host. Detailed analysis of the structural characteristics of this host-guest system (TbuP·2Py), as well as its packing pattern within the crystal network, is presented and discussed.

| S-EPMC11618873 | biostudies-literature

N,N'-(Ethane-1,2-di-yl)bis-(4-chloro-benzene-sulfonamide).

Project description:The title mol-ecule, C(14)H(14)Cl(2)N(2)O(4)S(2), lies on an inversion center. The mol-ecule is twisted in the region of the sulfonamide group with a C-S-N-C torsion angle of -67.49 (16)°. In the crystal, mol-ecules are connected via inter-molecular N-H⋯O and weak C-H⋯O hydrogen bonds, forming layers parallel to (100).

| S-EPMC3200590 | biostudies-literature

Supra-molecular inter-actions in 2,6-di-amino-4-chloro-pyrimidin-1-ium 5-chloro-salicylate and bis-(2,6-di-amino-4-chloro-pyrimidin-1-ium) naphthalene-1,5-di-sulfonate.

Project description:The crystals of two new salts, 2,6-di-amino-4-chloro-pyrimidin-1-ium 5-chloro-salicylate, C4H6ClN4+·C7H4ClO3-, (I), and bis-(2,6-di-amino-4-chloro-pyrimidin-1-ium) naphthalene-1,5-di-sulfonate, 2C4H6ClN4+·C10H6O6S22-, (II), have been synthesized and characterized by single-crystal X-ray diffraction. In both compounds, the N atom of the pyrimidine group in between the amino substituents is protonated and the pyrimidinium cation forms a pair of N-H⋯O hydrogen bonds with the carboxyl-ate/sulfonate ion, leading to a robust R22(8) motif (supra-molecular heterosynthon). In compound (I), a self-complementary base pairing involving the other pyrimidinium ring nitro-gen atom and one of the amino groups via a pair of N-H⋯N hydrogen bonds [R22(8) homosynthon] is also present. In compound (II), the crystallographic inversion centre coincides with the inversion centre of the naphthalene-1,5-di-sulfonate ion and all the sulfonate O atoms are hydrogen-bond acceptors, generating fused-ring motifs and a quadruple DDAA array. A halogen-bond (Cl⋯Cl) inter-action is present in (I) with a distance and angle of 3.3505 (12) Å and 151.37 (10)°, respectively. In addition, a C-Cl⋯π inter-action and a π-π inter-action in (I) and a π-π inter-action in (II) further stabilize these crystal structures.

| S-EPMC5956345 | biostudies-literature

Crystal structure of 1,13,14-tri-aza-dibenz[a,j]anthracene 1,1,2,2-tetra-chloro-ethane monosolvate.

Project description:The asymmetric unit of the title compound, C19H11N3·C2H2Cl4, consists of one half-mol-ecule of 1,13,14-tri-aza-dibenz[a,j]anthracene (dibenzo[c,h]-1.9,10-anthyridine, dbanth) and one half of 1,1,2,2-tetra-chloro-ethane (TCE), both of which are located on a crystallographic twofold rotation axis. The dihedral angle between the planes of the terminal benzene rings in dbanth is 3.59 (7)° owing to the steric repulsion between the H atoms in the two benzo groups and the H atom in the central pyridine ring of the anthridine skeleton. In the crystal, π-π inter-actions between pyridine rings [centroid-centroid distances = 3.568 (2) and 3.594 (2) Å] link the dbanth mol-ecules to form a one-dimensional columnar structure along the c axis. The dbanth and TCE mol-ecules are connected through weak bifurcated C-H⋯(N,N) hydrogen bonds.

| S-EPMC4459339 | biostudies-literature

Crystal structure and supra-molecular features of a host-guest inclusion complex based on A1/A2-hetero-difunctionalized pillar[5]arene.

Project description:A host-guest supra-molecular inclusion complex was obtained from the co-crystallization of A1/A2-bromo-but-oxy-hy-droxy difunctionalized pillar[5]arene (PilButBrOH) with adipo-nitrile (ADN), C47H53.18Br0.82O10·C6H8N2. The adipo-nitrile guest is stabilized within the electron-rich cavity of the pillar[5]arene host via multiple C-H⋯O and C-H⋯π inter-actions. Both functional groups on the macrocyclic rim are engaged in supra-molecular inter-actions with an adjacent inclusion complex via hydrogen-bonding (O-H⋯N or C-H⋯Br) inter-actions, resulting in the formation of a supra-molecular dimer in the crystal structure.

| S-EPMC11451480 | biostudies-literature

(E)-N'-[3-(4-Chloro-benzo-yloxy)benzyl-idene]pyridine-4-carbohydrazide acetic acid monosolvate monohydrate.

Project description:In the Schiff base mol-ecule of the title compound, C(20)H(14)ClN(3)O(3)·CH(3)COOH·H(2)O, the central benzene ring makes dihedral angles of 36.26 (7) and 27.59 (8)°, respectively, with the terminal chloro-phenyl and pyridine rings. In the crystal, the three components are linked by O-H⋯O, N-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds into a double-tape structure along the a axis.

| S-EPMC3344622 | biostudies-literature

2-[2-(2,6-Di-chloro-benz-yloxy)-2-phenyl-eth-yl]-2H-indazole.

Project description:In the title compound, C22H18Cl2N2O, the indazole ring system is approximately planar [maximum deviation = 0.031 (2) Å], its mean plane is oriented at 3.17 (4) and 19.34 (4)° with respect to the phenyl and benzene rings. In the crystal, weak C-H⋯π inter-actions link the mol-ecules into supra-molecular chains running along the b-axis direction.

| S-EPMC3998539 | biostudies-literature

1,3,5-Tris(4-bromo-phen-yl)-1,3,5-triazin-ane di-chloro-methane monosolvate.

Project description:In the main mol-ecule of the title compound, C21H18Br3N3·CH2Cl2, the triazinane ring adopts a chair conformation with three 4-brom-ophenyl substituents, two in diaxial positions and the third in an equatorial arrangement (eaa). The torsion angles around the N-C bonds in the triazinane ring are in the range 55.6?(5)-60.1?(5)°. The structure can be described as being built up of alternating layers along the b axis with the CH2Cl2 solvent mol-ecules sandwiched between these layers. No classical hydrogen-bonding inter-actions are observed in the crystal structure.

| S-EPMC3685111 | 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