Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Shi AE

PROVIDER: S-EPMC2968890 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Shi Ai-E AE Hou Yan-Jun YJ Zhang Yi-Ming YM Hou Guang-Feng GF Gao Jin-Sheng JS

Acta crystallographica. Section E, Structure reports online 20090306 Pt 4

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. ...[more]

PMID: 21582432

Similar Datasets

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

1,2-Bis[(3,5-diphenyl-1H-pyrazol-1-yl)meth-yl]benzene.

Project description:The title compound, C(38)H(30)N(4), a potentially mono- and bidentate ligand, does not seem to form palladium complexes similar to other poly(pyrazol-1-ylmeth-yl)benzenes due to the large steric size of the phenyl substituents on the pyrazole rings. The pyrazole rings have a 21.09?(5)° angle between their mean planes and exhibit a trans-like geometry in which the in-plane lone pairs of electrons on the 2-N nitrogen atoms point in opposite directions.

| S-EPMC3415022 | biostudies-literature

1,4-Bis[(2-ethyl-1H-benzimidazol-1-yl)meth-yl]benzene.

Project description:In the title mol-ecule, C(26)H(26)N(4), the central benzene ring forms dihedral angles of 89.9 (2) and 85.4 (2)° with the two benzimidazole rings.

| S-EPMC3212293 | biostudies-literature

4-[Bis(3-phenyl-1H-pyrazol-1-yl)meth-yl]benzene-1,2-diol.

Project description:The title compound, C(25)H(20)N(4)O(2), is a ditopic ortho-hydro-quinone-based bis-(pyrazol-1-yl)methane ligand. The dihedral angles between the planes of the pyrazole rings and their attached phenyl rings are 17.4 (3) and 5.9 (4)°. The pyrazole rings make a dihedral angle of 87.84 (16)°. One of the two hy-droxy groups forms an intra-molecular hydrogen bond to the other hy-droxy group, whereas the second is involved in an inter-molecular O-H⋯N hydrogen bond. As a result of these inter-molecular hydrogen bonds, helical chains running along the b axis are formed.

| S-EPMC3201530 | biostudies-literature

{1,2-Bis[(3,5-dimethyl-1H-pyrazol-1-yl-κN)meth-yl]benzene}-dichloridozinc(II).

Project description:The title zinc complex, [ZnCl(2)(C(18)H(22)N(4))], contains a bidentate 1,2-bis(3,5-dimethyl-1H-pyrazol-1-ylmeth-yl)benz-ene ligand that binds to the zinc atom, forming a nine-membered metallocyclic ring. The geometry about the Zn atom is distorted tetra-hedral, with the largest deviation observed in the magnitude of the Cl-Zn-Cl angle. Similar distortions are observed in the cobalt analogue and related zinc compounds containing metallocyclic rings with more than six members. The copper analogue exhibits a more severe distortion of the metal coordination sphere than is observed in the title compound.

| S-EPMC3238634 | biostudies-literature

Poly[[[silver(I)-μ-1,4-bis-[(imidazol-1-yl)meth-yl]benzene-κN:N-silver(I)-μ-1,4-bis-[(imidazol-1-yl)meth-yl]benzene-κN:N] 4,4'-diazenediyldibenzoate] dihydrate].

Project description:In the title compound, [Ag(2)(C(14)H(14)N(4))(2)](C(14)H(8)N(2)O(4))·2H(2)O, each of the two unique Ag(+) ions is two-coordinated by two N atoms from two different 1,4-bis-[(imidazol-1-yl)meth-yl]benzene ligands in an almost linear fashion [N-Ag-N = 170.34 (10) and 160.25 (10)°]. The 4,4'-diazenediyldibenzoate anions do not coordinate to Ag. O-H⋯O hydrogen bonds stabilize the crystal structure.

| S-EPMC3100071 | biostudies-literature

1,4-Bis(iodo-meth-yl)benzene.

Project description:The centrosymmetric title compound, C(8)H(8)I(2), was prepared by metathesis from the dibromo analogue. In the crystal structure, weak C-H⋯I inter-actions link the mol-ecules into stacks down the b axis. The structure is further stabilized by short I⋯I contacts [3.8433 (2) Å], forming undulating sheets in the (101) plane.

| S-EPMC2969495 | biostudies-literature

1,4-Bis(fluoro-meth-yl)benzene.

Project description:The title compound, C(8)H(8)F(2), lies across a crystallographic inversion centre. The structure features short C⋯F [2.8515 (18) Å] and F⋯F [2.490 (4) Å] contacts, which are significantly shorter than the sum of the van der Waals radii of these atoms. The F atom and methyl-ene H atoms are disordered over two positions with a site-occupancy ratio of 0.633 (3):0.367 (3). In the crystal structure, inter-molecular C-H⋯F inter-actions link neighboring mol-ecules into infinite chains along the b axis. In addition, C-H⋯π inter-actions link these mol-ecules along [10], forming a two-dimensional network parallel to (101).

| S-EPMC2968459 | biostudies-literature

catena-Poly[[[diaqua-diformatonickel(II)]-μ-1,4-bis-(1H-benzimidazol-1-yl)benzene] dihydrate].

Project description:In the title one-dimensional coordination polymer, {[Ni(CHO(2))(2)(C(20)H(14)N(4))(H(2)O)(2)]·2H(2)O}(n), the Ni(II) atom lies on a crystallographic inversion centre. It is coordinated by two formate O atoms, two water O atoms and two N atoms from two 1,4-bis-(1H-benzimidazol-1-yl)benzene (bzb) ligands, resulting in a distorted trans-NiN(2)O(4) octa-hedral coordination geometry. The bzb mol-ecule acts as a bridging ligand to connect the metal atoms into a chain propagating in [1[Formula: see text][Formula: see text]]. The dihedral angle between the benzimidazole ring and the central benzene ring in the ligand is 38.16 (9)°. In the crystal, O-H⋯O hydrogen bonds crosslink the chains into (010) sheets.

| S-EPMC3274932 | biostudies-literature

1,4-Bis(2-pyridylimino-meth-yl)benzene.

Project description:In the crystal structure of the title compound, C(18)H(14)N(4), the mol-ecule assumes site symmetry with the centroid of the benzene ring located on the inversion center. The mol-ecule is almost flat, with a dihedral angle of 2.70 (9)° between the pyridine and benzene rings.

| S-EPMC2971234 | 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