Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

A third polymorph of 1,4-bis-(1H-benzimid-azol-2-yl)benzene.

ABSTRACT: The title compound, C20H14N4, is a new polymorph of the previously reported structures, which were ortho-rhom-bic, space group Pbca [Bei et al. (2000). Acta Cryst. C56, 718-719] and monoclinic, space group P21/c [Dudd et al. (2003). Green Chem. 5, 187-192]. The asymmetric unit consists of two independent mol-ecules in which the dihedral angels between the central benzene ring and the outer benzimidazole ring systems are 16.81?(10) and 14.23?(10)° in one molecule and 26.09?(10) and 37.29?(10)° in the other. In the crystal, mol-ecules are linked by N-H?N and C-H?N hydrogen bonds into a tape running along the c-axis direction.

SUBMITTER: Fu WW

PROVIDER: S-EPMC4051014 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

A third polymorph of 1,4-bis-(1H-benzimid-azol-2-yl)benzene.

Fu Wei-Wei WW Liang Yan-Fei YF Liu Yang Y Zhu Xiao-Ming XM

Acta crystallographica. Section E, Structure reports online 20140524 Pt 6

The title compound, C20H14N4, is a new polymorph of the previously reported structures, which were ortho-rhom-bic, space group Pbca [Bei et al. (2000). Acta Cryst. C56, 718-719] and monoclinic, space group P21/c [Dudd et al. (2003). Green Chem. 5, 187-192]. The asymmetric unit consists of two independent mol-ecules in which the dihedral angels between the central benzene ring and the outer benzimidazole ring systems are 16.81 (10) and 14.23 (10)° in one molecule and 26.09 (10) and 37.29 (10)° in ...[more]

PMID: 24940273

Similar Datasets

Bis{μ-1,3-bis-[(2-methyl-1H-benzimid-azol-1-yl)meth-yl]benzene-κN:N}bis-(diiodidocadmium).

Project description:In the title compound, [Cd(2)I(4)(C(24)H(22)N(4))(2)], the 1,3-bis-[(2-methyl-1H-benzimidazol-1-yl)meth-yl]benzene ligand bridges two CdI(2) units, forming a centrosymmetric dinuclear complex. The Cd(II) atom adopts a distorted tetra-hedral coordination geometry. In the crystal, complex mol-ecules are linked into columns parallel to [101] by π-π stacking inter-actions, with centroid-centroid distances of 3.558 (2) Å.

| S-EPMC3246984 | biostudies-literature

Poly[bis-[chlorido-cop-per(I)]-?(4)-1,4-bis-[1-(3-pyridylmeth-yl)-1H-benzimid-azol-2-yl]butane].

Project description:The title Cu(I) coordination polymer, [Cu(2)Cl(2)(C(30)H(28)N(6))](n), was obtained by reaction of CuCl(2)·2H(2)O and 1,4-bis-[1-(3-pyridyl-meth-yl)-1H-benzimidazol-2-yl]butane. Each Cu(I) cation is three-coordinated by a ClN(2) donor set. The anion acts as a tetra-dentate ligand, linking Cu(I) centres into a polymeric chain.

| S-EPMC2961333 | biostudies-literature

A third polymorph of N,N'-bis-(pyridin-2-yl)benzene-1,4-diamine.

Project description:A third polymorph of the title compound, C(16)H(14)N(4), has been obtained. The mol-ecule adopts a non-planar conformation with an E configuration at the two partially double exo C N bonds of the 2-pyridyl-amine units. Like in the triclinic form [Bensemann et al. (2002 ▶). New J. Chem.26, 448-456], the recognition process between 2-pyridyl-amine units takes place through formation of a cyclic R(2) (2)(8) hydrogen-bond motif, leading to the creation of tapes parallel to [001].

| S-EPMC3247481 | biostudies-literature

1,3-Bis(prop-2-yn-yl)-1H-1,3-benzimid-azol-2(3H)-one.

Project description:In the title compound, C(13)H(10)N(2)O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.015?(1)?Å. The two propynyl groups are nearly perpendicular to the benzimidazole plane, making dihedral angles of 85?(3) and 80?(2)?°, and point in opposite directions. There are two short inter-molecular C-H?O contacts to the carbonyl O atom, one involving the acetyl-enic H atom and the other a H atom of the methyl-ene group.

| S-EPMC3089259 | biostudies-literature

1,4-Bis(1H-benzimidazol-1-yl)benzene.

Project description:In the title compound, C(20)H(14)N(4), the dihedral angles between the central benzene ring and the pendant benzimidazole ring systems are 46.60 (15) and 47.89 (16)°. The dihedral angle between the benzimidazole ring systems is 85.62 (12)° and the N atoms lie to the same side of the mol-ecule. In the crystal, mol-ecules are linked by C-H⋯N inter-actions and weak aromatic π-π stacking [shortest centroid-centroid separation = 3.770 (2) Å] is observed.

| S-EPMC3200633 | biostudies-literature

1,4-Bis[(1H-pyrazol-1-yl)meth-yl]benzene.

Project description:In the title compound, C(14)H(14)N(4), the center of the phenyl-ene group is a crystallographic center of inversion. The compound is composed of three aromatic rings displaying a Z-like conformation. The dihedral angle between the pyrazole rings and the central phenyl ring is 83.84 (9)°.

| S-EPMC3151929 | biostudies-literature

1,4-Bis[(1H-pyrazol-1-yl)meth-yl]benzene dihydrate.

Project description:The asymmetric unit of the title compound, C(14)H(14)N(4)·2H(2)O consists of two half-mol-ecules of the main mol-ecule, each situated on an inversion center, and two mol-ecules of water. One-dimensional chains of water mol-ecules are built up by O-H⋯O hydrogen bonds which are then linked with the main mol-ecule via O-H⋯N hydrogen bonds, forming a two-dimensional supra-molecular network in the ac plane.

| S-EPMC2968890 | biostudies-literature

catena-Poly[[bis-(2-amino-ethane-sulfon-ato-?N,O)nickel(II)]-?-1,4-bis-(1H-imid-azol-1-yl)benzene-?N:N].

Project description:In the hydro-thermally prepared title coordination polymer, [Ni(C(2)H(6)NO(3)S)(2)(C(12)H(10)N(4))](n), the Ni(II) ion and the 1,4-bis-(1H-imidazol-1-yl)benzene ligand occupy special positions on inversion centers. The metal ion shows a slightly distorted octa-hedral coordination geometry, being linked to two N atoms of two 1,4-bis-(imidazol-1-yl)benzene ligands and to two O and two N atoms of two chelating 2-amino-ethane-sulfonate ligands. The 1,4-bis-(imidazol-1-yl)benzene ligands bridge symmetry-related Ni(II) ions forming polymeric chains along the [110] direction.

| S-EPMC3099785 | biostudies-literature

1,4-Bis(1H-benzimidazol-2-yl)benzene methanol monosolvate.

Project description:The asymmetric unit of the title compound, C(20)H(14)N(4)·CH(4)O, contains two independent half-mol-ecules, each located on an inversion centre, and a methanol solvent mol-ecule. The benzimidazolyl groups form different dihedral angles [24.0?(1) and 11.6?(1)°] with the plane of the central benzene ring in the two mol-ecules. In the crystal, a two-dimensional network is formed through N-H? N, N-H?O and O-H?N hydrogen-bonding inter-actions between the benzimidazole units and methanol solvent mol-ecules. ?-? stacking inter-actions also occur between the benzimidazole rings of adjacent mol-ecules, with centroid-centroid distances of 3.720?(14)?Å and inter-planar distances of 3.53?(1)?Å .

| S-EPMC3050263 | biostudies-literature

2-Meth-oxy-6-(6-methyl-1H-benzimid-azol-2-yl)phenol.

Project description:In the title mol-ecule, C(15)H(14)N(2)O(2), the substituted benzene ring forms a dihedral angle of 4.15?(1)° with the benzimidazole ring system. An intra-molecular O-H?N hydrogen bond generates an S(6) ring motif. In the solid state, mol-ecules are linked into chains along the [001] via inter-molecular bifurcated N-H?(O,O) hydrogen bonds, which generate R(1) (2)(5) ring motifs. The crystal packing is also consolidated by C-H?? inter-actions, and ?-? stacking inter-actions between the imidazole and substituted benzene rings [centroid-centroid distance = 3.5746?(13)?Å]. The methyl group attached to the benzimidazole ring system is disordered over two positions with occupancies of 0.587?(6) and 0.413?(6), suggesting 180° rotational disorder for the benzimidazole group.

| S-EPMC2969490 | 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