Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,3-Bis(2-quinolylcarbon-yl)-1H,3H-2,1,3-benzothia-diazole 2-oxide.

ABSTRACT: In the title compound, C(26)H(16)N(4)O(3)S, the thia-diazole ring adopts an envelope conformation, with the S atom occupying the flap position. The dihedral angle between the two quinoline ring systems is 55.32 (8)°. In the crystal, the mol-ecules are linked into chains along [010] by C-H⋯O hydrogen bonds. The chains are connected via π-π inter-actions involving one of the pyridine rings [centroid-centroid distance = 3.5558 (18) Å].

SUBMITTER: Jing LH

PROVIDER: S-EPMC2969921 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,3-Bis(2-quinolylcarbon-yl)-1H,3H-2,1,3-benzothia-diazole 2-oxide.

Jing Lin-Hai LH

Acta crystallographica. Section E, Structure reports online 20090822 Pt 9

In the title compound, C(26)H(16)N(4)O(3)S, the thia-diazole ring adopts an envelope conformation, with the S atom occupying the flap position. The dihedral angle between the two quinoline ring systems is 55.32 (8)°. In the crystal, the mol-ecules are linked into chains along [010] by C-H⋯O hydrogen bonds. The chains are connected via π-π inter-actions involving one of the pyridine rings [centroid-centroid distance = 3.5558 (18) Å]. ...[more]

PMID: 21577626

Similar Datasets

1,3-Bis(3-phenyl-prop-yl)-1H-1,3-benzimidazole-2(3H)-selone.

Project description:The title mol-ecule, C(25)H(26)N(2)Se, has mirror symmetry, with the mirror plane passing through the atoms of the C=Se bond and the mid-points of the two C-C bonds of the benzene ring of the benzimidazole group. The dihedral angle between the benzimidazole ring system and the phenyl ring is 71.62 (14)°.

| S-EPMC3089112 | biostudies-literature

1,3-Bis(ethoxy-meth-yl)-1H-benzimidazole-2(3H)-thione.

Project description:In the structure of the title compound, C(13)H(18)N(2)O(2)S, mol-ecules are linked together by inter-molecular C-H⋯S inter-actions into one-dimensional extended chains along the a axis. The crystal packing is further influenced by weak C-H⋯O inter-actions.

| S-EPMC2979012 | 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

1,3-Bis(4-methyl-benz-yl)pyrimidine-2,4(1H,3H)-dione.

Project description:In the title mol-ecule, C(20)H(20)N(2)O(2), the central pyrimidine ring forms dihedral angles of 71.9 (1) and 69.8 (1)° with the two benzene rings. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into centrosymmetric dimers. The crystal packing exhibits also π-π inter-actions as indicated by short distances of 3.674 (2) Å between the centroids of the pyrimidine rings of neighbouring mol-ecules.

| S-EPMC2980275 | biostudies-literature

1,3-Bis[2-(2-oxo-1,3-oxazolidin-3-yl)eth-yl]-1H-benzimidazol-2(3H)-one.

Project description:The mol-ecular structure of the title compound, C(17)H(20)N(4)O(5), contains a central fused-ring system, comprised of six- and five-membered rings. This unit is linked by C(2) chains to two 2-oxo-1,3-oxazolidine five-membered rings. The central fused-ring system is essentially planar, with a maximum deviation of 0.008 (1) Å from the mean plane. Both oxazolidine five-membered rings are also nearly planar, with maximum deviations of 0.090 (1) and 0.141 (1) Å.

| S-EPMC3051530 | biostudies-literature

5-Nitro-1,3-bis-(prop-2-yn-yl)-1H-1,3-benzimidazol-2(3H)-one.

Project description:The title compound, C13H9N3O3, crystallizes with two identical but differently oriented mol-ecules in the asymmetric unit, the dihedral angle between the fused-ring systems of the two molecules being 64.39 (7)°. The two prop-2-ynyl chains are located on opposite sides of the mol-ecule and are nearly perpendicular to the fused ring plane, as indicated by the C-N-C-C torsion angles in the range 106.0 (3)-113.4 (3)°. In the crystal, the two mol-ecules are linked through C-H⋯O hydrogen bonds into dimers, which are subsequently linked by further C-H⋯O inter-actions, building a three-dimensional network.

| S-EPMC3770420 | biostudies-literature

1,3-Bis(4-tert-butyl-benz-yl)pyrimidine-2,4(1H,3H)-dione.

Project description:In the crystal structure of the title mol-ecule, C(26)H(32)N(2)O(2), the six methyl groups are disordered over two positions, with site-occupancy ratios of 0.665 (8):0.335 (8) and 0.639 (8):0.361 (8). The central pyrimidine ring is almost planar with an r.m.s. deviation of 0.009 Å. The dihedral angles formed by the two benzene rings with the pyrimidine ring are 70.70 (8) and 88.02 (9)°. The dihedral angle between two benzene rings is 46.67 (10)°.

| S-EPMC3151810 | biostudies-literature

1,3-Bis[3-(1,3-dioxoisoindolin-2-yl)prop-yl]-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

Project description:The title compound, C(37)H(26)N(4)O(7), is a 1H-anthra[2,1-d]imidazole-2,6,11(3H)-trione derivative having isoindolindionylpropyl substitutents attached to the imidazole N atoms. The anthraquinone fragment is buckled, the dihedral angle between the two benzene rings being 1.6?(1)°. The two isoindoline rings of the substituents of the imidazole ring are positioned on opposite sides of the five-membered ring; these are nearly mutually perpendicular [dihedral angle between isoindoline rings = 88.3?(1)°].

| S-EPMC3213577 | biostudies-literature

6-Bromo-1,3-bis-[(1,3-dioxolan-2-yl)meth-yl]-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:In the title compound, C14H16BrN3O5, the N atoms adjacent to the carbonyl group in the five-membered ring are substituted by (1,3-dioxolan-2-yl)methyl groups. The fused ring system is essentially planar, with the largest deviation from the mean plane being 0.014 (2) Å for the C atom bearing the Br atom. The first oxolane ring, attached on the side of the N atom belonging to the pyridine ring, has an envelope conformation with one of the O atoms as the flap, whereas the second oxolane ring displays a twisted boat conformation. The two oxolane rings display envelope and twisted boat conformations. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, building chains parallel to the a-axis direction.

| S-EPMC3772466 | biostudies-literature

1,3-Bis(3-phenyl-prop-yl)-1H-benz-imidazole-2(3H)-tellurone.

Project description:The title compound, C(25)H(26)N(2)Te, was synthesized from bis-[1,3-bis-(3-phenyl-prop-yl)benzimidazolidin-2-yl-idene] and Te in a toluene solution. The molecule possesses a twofold rotation axis passing through the Te atom and the center of the benzimidazole ring system. The benzimidazole ring system makes an angle of 67.9?(4)° with the phenyl rings.

| S-EPMC2960818 | biostudies-other

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