Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,3'-(2,2'-Bi-1H-imidazole-1,1'-di-yl)dipropanamide.

ABSTRACT: In the title compound, C(12)H(16)N(6)O(2), the two imidazole rings are coplanar as a center of inversion exists midway along the C-C bond joining the two rings. In the crystal, inter-molecular N-H?O, N-H?N and C-H?O hydrogen bonds link adjacent mol-ecules into a two-dimensional layer structure parallel to (001).

SUBMITTER: Zhi YX

PROVIDER: S-EPMC2977265 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,3'-(2,2'-Bi-1H-imidazole-1,1'-di-yl)dipropanamide.

Zhi Y-X YX Long J J Chen J-Y JY Ren Y-T YT

Acta crystallographica. Section E, Structure reports online 20090729 Pt 8

In the title compound, C(12)H(16)N(6)O(2), the two imidazole rings are coplanar as a center of inversion exists midway along the C-C bond joining the two rings. In the crystal, inter-molecular N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds link adjacent mol-ecules into a two-dimensional layer structure parallel to (001). ...[more]

PMID: 21583679

Similar Datasets

Di-tert-butyl 3,3'-(2,2'-bi-1H-imidazole-1,1'-di-yl)dipropanoate.

Project description:In the title compound, C(20)H(20)N(4)O(4), the complete molecule is generated by a crystallographic centre of symmetry. The conformation is stabilized by two intramolecular C-H?N links.

| S-EPMC2969301 | biostudies-literature

3,3'-(2,2'-Bi-1H-imidazole-1,1'-diyl)dipropanol.

Project description:In the title compound, C(12)H(18)N(4)O(2), unlike other unconjugated disubstituted biimidazole derivatives reported so far, the two imidazole rings in a trans conformation exhibit a large planar rotation angle of 51.27?(4)°, and consist of half-mol-ecule asymmetric units related by a twofold rotation. The mol-ecules are linked into a three-dimensional framework with a parallel laminated construction via O-H?N and C-H?O inter-actions.

| S-EPMC2968367 | biostudies-literature

Dimethyl 2,2'-[2,2'-bi(1H-1,3-benzimidazole)-1,1'-di-yl]diacetate.

Project description:The whole mol-ecule of the title compound, C(20)H(18)N(4)O(4), is generated by an inversion center. The benzimidazole ring mean plane make a dihedral angle of 89.4 (8)° with the plane passing through the acetate group (COO). In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.743 (3) Å] involving inversion-related benzimidazole groups.

| S-EPMC3414963 | biostudies-literature

Bis(?-2,2'-bi-1H-imidazole-1,1'-di-acet-ato)bis-[diaqua-cobalt(II)] hexa-hydrate.

Project description:The dinuclear title compound, [Co(2)(C(10)H(8)N(4)O(4))(2)(H(2)O)(4)]·6H(2)O, lies about an inversion centre. Each Co(II) atom is six-coordinated by two water mol-ecules, two carboxyl-ate O atoms and two N atoms of two symmetry-related 2,2'-bi-1H-imidazole-1,1'-diacetate (L(2-)) ligands in a slightly distorted octa-hedral geometry. Mol-ecules are linked into a three-dimensional framework via O-H?O and C-H?O hydrogen bonds.

| S-EPMC2977594 | biostudies-literature

Poly[[?-2,2'-diethyl-1,1'-(propane-1,3-di-yl)di-1H-imidazole-?N:N](?-5-hy-droxy-isophthalato-?O:O)zinc].

Project description:In the title coordination polymer, [Zn(C(8)H(4)O(5))(C(13)H(20)N(4))](n), the Zn(II) ion is coordinated by an O(2)N(2) donor set in a distorted tetra-hedral geometry. The Zn(II) ions are connected by 5-hy-droxy-isophthalate (hbdc) and 2,2'-diethyl-1,1'-(propane-1,3-di-yl)di-1H-imidazole (pbie) ligands, forming a threefold inter-penetrating diamondoid framework. In the pbie ligand, one of the ethyl-imidazole groups is disordered over two positions, with a site-occupancy ratio of 0.670?(9):0.330?(9). An inter-molecular O-H?O hydrogen bond is formed between the hy-droxy and carboxyl-ate groups of the hbdc ligands.

| S-EPMC3246967 | biostudies-literature

Poly[[[?-3,3'-(dimethyl-silanedi-yl)dibenzoato][?-1,1'-(1,4-phenyl-ene)di-1H-imidazole]-zinc] monohydrate].

Project description:The asymmetric unit of the title compound, {[Zn(C??H??O?Si)(C??H??N?)]·H(2)O}(n), consists of one Zn(II) ion, two half 3,3'-(dimethyl-silanedi-yl)dibenzoate ligands and two half 1,1'-(1,4-phenyl-ene)di-1H-imidazole ligands. The Zn(II) ion is four-coordinated by two O atoms from two carboxlate ligands, two N atoms from two imidazole ligands. Two Zn(II) ions are bridged by two carboxyl-ate groups in chelating mode, generating a binuclear secondary building unit (SBU), which is further coordinated by two N atoms from two imidazole ligands in monodentate mode. Thus, the binuclear SBUs are further bridged by imidazole ligands in two different directions, giving rise to a chain. The water solvent mol-ecules are hydrogen bonded within the chain along the c axis.

| S-EPMC3393147 | biostudies-other

meso-5,5'-Bis[(4-fluoro-phen-yl)diazen-yl]-2,2'-(pentane-3,3-di-yl)di-1H-pyrrole.

Project description:There are two independent molecules in the asymmetric unit of the title compound, C(25)H(24)F(2)N(6), in which the N=N bonds adopt a trans configuration with distances in the range 1.262 (2)-1.269 (3) Å. The dihedral angles between heterocycles are 86.7 (2) and 85.6 (2)° in the two molecules while the dihedral angles between the heterocylic rings and the adjacent benzene rings are 13.4 (2) and 13.4 (2)° in one molecule and 5.3 (2) and 6.5 (2)° in the other. In the crystal, pairs of independent mol-ecules are held together by four N-H⋯N hydrogen bonds, forming inter-locked dimers.

| S-EPMC3051718 | biostudies-literature

Diaqua-bis-(2,2'-bi-1H-imidazole)-man-ganese(II) benzene-1,4-di-carboxyl-ate.

Project description:The asymmetric unit of the title compound, [Mn(C(6)H(6)N(4))(2)(H(2)O)(2)](C(8)H(4)O(4)), contains one-half each of the centrosymmetric cation and anion. The Mn(II) atom is coordinated by four N atoms [Mn-N = 2.2168?(14) and 2.2407?(14)?Å] from two 2,2'-biimidazole ligands and two water mol-ecules [Mn-O = 2.2521?(14)?Å] in a distorted octa-hedral geometry. Inter-molecular N-H?O and O-H?O hydrogen bonds consol-idate the crystal packing, which also exhibits ?-? inter-actions between five-membered rings, with a centroid-centroid distance of 3.409?(2)?Å.

| S-EPMC3379148 | biostudies-literature

Crystal structure of 3,3'-diisopropyl-1,1'-(pyridine-2,6-di-yl)bis-[1H-imidazole-2(3H)-thione].

Project description:In the title compound, C17H21N5S2, the dihedral angles between the central pyridine ring and its pendant imidazole rings are 29.40?(9) and 40.77?(9)°; the pendant rings are twisted in an opposite sense with respect to the central ring. In each case, the S atom is approximately anti to the N atom of the pyridine ring. For both substituents, the H atom attached to the central C atom of the isopropyl group is approximately syn to the S atom in the attached ring. In the crystal, mol-ecules are linked by weak C-H?S inter-actions, generating C(5) chains propagating along [001].

| S-EPMC4438837 | biostudies-other

3,3'-Dihy-droxy-6,6'-bis-(hy-droxy-meth-yl)-2,2'-(pentane-1,1-di-yl)di-4H-pyran-4-one.

Project description:In the title mol-ecule, C(17)H(20)O(8), the two pyran rings form a dihedral angle of 61.2?(2)°. The two hy-droxy-methyl groups are each disordered over two sets of sites in a 0.764?(3):0.236?(3) ratio. In the crystal, O-H?O hydrogen bonds link the mol-ecules into layers parallel to the ac plane.

| S-EPMC3344022 | 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