Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,1',5,5'-Tetra-methyl-2,2'-diphenyl-4,4'-[p-phenyl-enebis(methyl-idynenitrilo)]di-1H-pyrazol-3(2H)-one.

ABSTRACT: In the centrosymmetric title compound, C(30)H(28)N(6)O(2), the dihedral angles between the anti-pyrine ring and the terminal phenyl and central benzene rings are 50.55?(10) and 14.62?(9)°, respectively. Some short inter-molecular C-H?O inter-actions may help to establish the packing. An intramolecular C-H?O hydrogen bond is also present.

SUBMITTER: Xiao Y

PROVIDER: S-EPMC2962109 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,1',5,5'-Tetra-methyl-2,2'-diphenyl-4,4'-[p-phenyl-enebis(methyl-idynenitrilo)]di-1H-pyrazol-3(2H)-one.

Xiao Yan Y Bi Cai Feng CF Wang Ai Dong AD Fan Yu Hua YH Zhang Xia X Xu Jia Kun JK Xie Si Tang ST

Acta crystallographica. Section E, Structure reports online 20080712 Pt 8

In the centrosymmetric title compound, C(30)H(28)N(6)O(2), the dihedral angles between the anti-pyrine ring and the terminal phenyl and central benzene rings are 50.55 (10) and 14.62 (9)°, respectively. Some short inter-molecular C-H⋯O inter-actions may help to establish the packing. An intramolecular C-H⋯O hydrogen bond is also present. ...[more]

PMID: 21203191

Similar Datasets

4,4',5,5'-Tetra-methyl-2,2'-[1,1'-(propane-1,3-diyldinitrilo)diethyl-idyne]diphenol.

Project description:The title Schiff base compound, C(23)H(30)N(2)O(2), has crystallographic twofold rotation symmetry. An intra-molecular O-H?N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The imino group is coplanar with the benzene ring. The two benzene rings are almost perpendicular to each other, making a dihedral angle of 87.38?(4)°. In the crystal structure, neighbouring mol-ecules are linked along the c axis by weak inter-molecular C-H?O hydrogen bonds and are further packed into columns along the b axis, forming sheets which are parallel to the bc plane.

| S-EPMC2960569 | biostudies-literature

Diammonium 1,1',3,3'-tetra-methyl-2,2',4,4',6,6'-hexa-oxoperhydro-5,5'-bipyrimidine-5,5'-diide monohydrate.

Project description:In the title hydrated salt, 2NH(4) (+)·C(12)H(12)N(4)O(6) (2-)·H(2)O, the two hexa-hydro-pyrimidine rings in the dianion are inclined to one another at a dihedral angle of 62.76?(5)°. In the crystal structure, the anions and water mol-ecules are linked into sheets parallel to the bc plane by inter-molecular O-H?O hydrogen bonds and sustained by C-H?O contacts. The linking of the anions and water mol-ecules with the cations by N-H?O hydrogen bonds creates a three-dimensional extended network. The crystal structure is further stabilized by very weak C-H?? inter-actions.

| S-EPMC2971361 | biostudies-literature

2,2',4,4',6,6'-Hexamethyl-biphenyl-3,3',5,5'-tetra-yltetra-methyl-ene tetra-acetate.

Project description:The title compound, C(30)H(38)O(8), possess C(i) symmetry, with the inversion center situated at the center of the bridging C-C bond. In the crystal structure, mol-ecules are held together by C-H?O inter-actions.

| S-EPMC2969695 | biostudies-literature

{4,4',5,5'-Tetra-methyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethyl-idyne]diphenolato}nickel(II)-methanol-chloro-form (1/1/1).

Project description:In the title compound, [Ni(C(22)H(26)N(2)O(2))]·CH(3)OH·CHCl(3), the Ni(II) ion is in a slightly distorted square-planar geometry involving an N(2)O(2) atom set of the tetra-dentate Schiff base ligand. The asymmetric unit contains one mol-ecule of the complex and one mol-ecule each of chloro-form and methanol. The methanol mol-ecule is hydrogen bonded to the phenolate O atoms. In the crystal structure, short inter-molecular distances between the centroids of six-membered chelate rings [3.7002?(9)?Å] indicate the presence of ?-? inter-actions, which link the mol-ecules into stacks along the a axis. In addition, there are Ni?Ni distances which are shorter than the sum of the van der Waals radii of two Ni atoms. The crystal structure is further stabilized by inter-molecular O-H?O and C-H?O hydrogen bonds, and weak inter-molecular C-H?? inter-actions linking mol-ecules into extended one-dimensional chains along the c axis.

| S-EPMC2960584 | biostudies-literature

4,4',6,6'-Tetra-tert-butyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenol acetone solvate.

Project description:In the Schiff base mol-ecule of the title compound, C(36)H(48)N(2)O(2)·C(3)H(6)O, the central benzene ring makes dihedral angles of 46.64?(10) and 49.34?(10)° with the two outer benzene rings, and the two outer benzene rings form an angle of 39.13?(8)°. There are two intra-molecular O-H?N hydrogen bonds involving the two hydr-oxy groups, which generate S(6) ring motifs. In the crystal structure, the Schiff base mol-ecules are linked into a chain along the a axis by C-H?? inter-actions. The acetone solvent mol-ecules are attached to the chain via C-H?O hydrogen bonds.

| S-EPMC2960780 | biostudies-literature

N,N'-Diallyl-2,2',5,5'-tetra-chloro-N,N'-[1,3-phenyl-enebis(methyl-ene)]dibenzene-sulfonamide.

Project description:In the title compound, C(26)H(24)Cl(4)N(2)O(4)S(2), the dihedral angles between the central benzene ring and the pendant rings are 70.07 (12) and 59.07 (12)°. The equivalent angle between the pendant rings is 79.24 (12)°. Both sulfonamide groups lie to the same side of the central ring but the pendant chains have very different conformations, as indicated by their C-S-N-C torsion angles [104.66 (17) and -76.35 (19)°] and S-N-C-C torsion angles [129.61 (17) and 147.10 (17)°]. Both N atoms are close to planar (bond angle sums = 359.0 and 354.8°). In the crystal, inversion dimers are formed via a pair of weak C-H⋯O inter-actions which generate R(2) (2)(22) loops.

| S-EPMC3238937 | biostudies-literature

4,4'-Bis(2,2-diphenyl-vin-yl)-1,1'-biphen-yl.

Project description:The title mol-ecule, C(40)H(30), lies on an inversion center. The two unique phenyl rings form dihedral angles of 51.98?(8) and 67.58?(8)° with the essentially planar biphenyl unit [maximum deviation = 0.0360?(14)?Å].

| S-EPMC3050360 | biostudies-literature

1,1'-Di-tert-butyl-2,2',3,3',4,4',5,5'-octa-ethyl-1,1'-bis-tannole.

Project description:The title compound, [Sn(2)(C(4)H(9))(2)(C(12)H(20))(2)], has two 1-stannacyclo-penta-diene skeletons related by inversion symmetry located at the mid-point of the Sn-Sn bond [2.7682 (2) Å]. Thus, the asymmetric unit comprises one half-mol-ecule. The planarity of the stannacyclo-penta-diene ring is illustrated by the dihedral angle of 0.3 (1)°, defined by the C(4) and C-Sn-C planes. To avoid steric repulsion, the two stannole rings are oriented in an anti fashion through the Sn-Sn bond. These structural features are similar to those of other bis-tannoles.

| S-EPMC3152095 | biostudies-literature

2'-Iodo-2,2'',3,3'',4,4'',5,5'',6,6''-deca-methyl-1,1':3',1''-terphenyl chloro-form monosolvate.

Project description:The title compound, C(28)H(33)I·CHCl(3), forms dimers through C-I?? inter-actions. The crystal structure is consolidated by the presence of C-H?? inter-actions between the chloro-form solvent and the main mol-ecule.

| S-EPMC3050376 | biostudies-literature

2,2',6,6'-Tetra-methyl-4,4'-bipyridine.

Project description:In the title compound, C(14)H(16)N(2), which has no crystallographic molecular symmetry, the dihedral angle between the least-squares planes of the two pyridine rings is 19.48?(2)°. No classical hydrogen bonds nor ?-? inter-actions were found.

| S-EPMC2915197 | 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