Browse
Submit Data
Databases
API
Help

Dataset Information

85 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Wang K

PROVIDER: S-EPMC2969301 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wang Ke K Li Yue-Jiao YJ Zhang Ting-Ting TT Liang Hong-Ze HZ

Acta crystallographica. Section E, Structure reports online 20090613 Pt 7

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. ...[more]

PMID: 21582854

Similar Datasets

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

Project description: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).

| S-EPMC2977265 | 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

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

3,3'-Dibromo-5,5'-di-tert-butyl-2,2'-dimethoxy-biphen-yl.

Project description:The title compound, C(22)H(28)Br(2)O(2), crystallizes in a staggered arrangement to minimize the inter-actions of its ortho substituents, with a dihedral angle of 84.2 (3)° between the two aromatic rings. Short C-H⋯O hydrogen-bonding inter-actions between meth-oxy groups result in a one-dimensional polymeric chain of mol-ecules lying parallel to the b axis. One tert-butyl group is disordered equally over two positions.

| S-EPMC2960332 | 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

Di-tert-butyl (1,1'-binaphthyl-2,2'-di-oxy)diacetate.

Project description:In the crystal structure of the title compound, C(32)H(34)O(6), the mol-ecule is located on a twofold rotation axis. The two naphthyl fused-ring systems are aligned at 72.6 (1)°. Weak intermolecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2968877 | biostudies-literature

3,3'-Di-tert-butyl-5,5'-dimethoxy-biphenyl-2,2'-diol.

Project description:The title compound, C(22)H(30)O(4), displays twofold rotational symmetry. The two benzene rings are almost perpendicular to each other, forming a dihedral angle of 89.8?(6)°. In the crystal, mol-ecules are linked into an extended one-dimensional chain structure via inter-molecular O-H?O hydrogen bonds.

| S-EPMC2969421 | biostudies-literature

(R)-Di-tert-butyl 1,1'-binaphthyl-2,2'-dicarboxyl-ate.

Project description:The crystal structure of the title compound, C(30)H(30)O(4), comprises two crystallographically independent half-mol-ecules which are completed by crystallographic twofold symmetry. The dihedral angles between the naphthalene ring planes are 85.83?(3) and 83.69?(3)° for the two molecules. The atoms of the tert-butyl group of one mol-ecule are disordered over two sets of sites with occupancies of 0.60:0.40. The crystal packing is achieved via ?-? stacking inter-actions between the naphthyl groups of adjacent mol-ecules, with a separation of 3.790?(1)?Å between the centroids of the rings.

| S-EPMC2968339 | biostudies-literature

Bis[(1,1'-biphenyl-2,2'-di-yl)di-tert-butyl-phospho-nium] di-?-chlorido-bis-[dichlorido-palladate(II)].

Project description:In the title compound, (C(20)H(26)P)(2)[Pd(2)Cl(6)], the Pd(II) atom within the hexachloridodipalladate(II) dianion has a square-planar geometry. It resides on a centre of inversion with the asymmetric unit containing half of the dianion and one phospho-nium cation. Only weak C-H?? inter-actions are present in the crystal structure.

| S-EPMC3470136 | 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

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