Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methyl-enebis(4,1-phenyl-ene)]diurea.

ABSTRACT: The title compound, C(33)H(26)N(6)O(2), contains two 3-(quinolin-8-yl)urea groups linked to a diphenyl-methane. The asymmetric unit contains two mol-ecules, A and B. Each quinoline plane is essentially parallel to the attached urea unit [dihedral angles = 8.97?(18) and 8.81?(19) in molecule A and 18.47?(18) and 4.09?(19)° in molecule B]. The two benzene rings are twisted, making dihedral angles of 81.36?(8)° in A and 87.20?(9)° in B. The molecular structures are stabilized by intramolecular N-H?N hydrogen bonds. In the crystal, each urea O atom is involved in two N-H?O hydrogen bonds, generating two inter-penetrating three-dimensional sets of mol-ecules.

SUBMITTER: Pramanik A

PROVIDER: S-EPMC3254500 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methyl-enebis(4,1-phenyl-ene)]diurea.

Pramanik Avijit A Russ Tiffany H TH Powell Douglas R DR Hossain Md Alamgir MA

Acta crystallographica. Section E, Structure reports online 20111217 Pt 1

The title compound, C(33)H(26)N(6)O(2), contains two 3-(quinolin-8-yl)urea groups linked to a diphenyl-methane. The asymmetric unit contains two mol-ecules, A and B. Each quinoline plane is essentially parallel to the attached urea unit [dihedral angles = 8.97 (18) and 8.81 (19) in molecule A and 18.47 (18) and 4.09 (19)° in molecule B]. The two benzene rings are twisted, making dihedral angles of 81.36 (8)° in A and 87.20 (9)° in B. The molecular structures are stabilized by intramolecular N-H⋯ ...[more]

PMID: 22259443

Similar Datasets

3,3'-Di-tert-butyl-1,1'-[1,3-phenyl-enebis(methyl-ene)]diurea.

Project description:The title compound, C(18)H(30)N(4)O(2), contains two tert-butyl urea groups, each connected to a benzene ring though a methyl-ene group. One of the groups occupies a position almost normal to the aromatic plane with a C-N-C-C torsion angle of -94.4?(4)°, while the other is considerably twisted from the ring with a C-N-C-C torsion angle of -136.1?(4)°. In the crystal, pairs of mol-ecules are connected to each other, forming centrosymmetric dimers in which two NH groups of one mol-ecule act as hydrogen-bond donors to one carbonyl O atom of the other mol-ecule. The dimers are linked into sheets parallel to (100) by N-H?O hydrogen bonds involving the remaining N-H and C=O groups.

| S-EPMC2983681 | biostudies-literature

1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(4,1-phenyl-ene)}diethanone.

Project description:The centroid of the central aromatic ring of the title mol-ecule, C(24)H(22)O(4), is located on an inversion center. The dihedral angle between the central and terminal benzene rings is 75.00 (7)°. In the crystal, mol-ecules are linked through C-H⋯O hydrogen bonds into chains along [121]. The chains are connected into layers via C-H⋯π inter-actions.

| S-EPMC3238835 | biostudies-literature

N,N'-[4,4'-Methyl-enebis(4,1-phenyl-ene)]bis-(2,6-difluoro-benzamide).

Project description:The complete mol-ecule of the title compound, C(27)H(18)F(4)N(2)O(2), is generated by crystallographic twofold symmetry, with one C atom lying on the rotation axis. The dihedral angle between fluoro-substituted phenyl ring and the adjacent benzene ring is 10.37?(5)°. In the crystal, mol-ecules are connected by N-H?O and C-H?F hydrogen bonds, resulting in supra-molecular chains propagating along the c direction.

| S-EPMC3151792 | biostudies-literature

1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(3,1-phenyl-ene)}diethanone.

Project description:In the title compound, C(24)H(22)O(4), the centroid of the central benzene ring lies on a special position of 2/m site symmetry, while the terminal aromatic rings are located on a mirror plane. The central and terminal benzene rings are perpendic-ular to each other. In the crystal, the mol-ecules are connected via C-H⋯O hydrogen bonds into a three-dimensional polymeric structure. The network is further consolidated by a C-H⋯π inter-action.

| S-EPMC3238815 | biostudies-literature

1,1'-{2,2'-[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(2,1-phenyl-ene)}diethanone.

Project description:The asymmetric unit of the title compound, C(24)H(22)O(4), contains one half-mol-ecule, the other half being generated by a crystallographic center of inversion. The central benzene ring makes a dihedral angle of 72.49 (5)° with the terminal benzene ring. In the crystal, adjacent mol-ecules are linked through C-H⋯O inter-actions, forming a sheet structure parallel to the bc plane. The sheets are stacked along the a axis via π-π inter-actions formed between the terminal benzene rings [centroid-centroid separation = 3.7276 (6) Å].

| S-EPMC3247415 | biostudies-literature

3,3'-Diallyl-1,1'-[o-phenyl-enebis(methyl-ene)]diimidazol-3-ium bis-(hexa-fluoro-phosphate).

Project description:In the cation of the title mol-ecular salt, C(20)H(24)N(4) (2+)·2PF(6) (-), the central benzene ring makes dihedral angles of 84.19 (7) and 79.10 (7)° with the pendant imidazole rings. In one of the hexa-fluoro-phosphate anions, the six F atoms are disordered over two sets of sites, with an occupancy ratio of 0.842 (3):0.158 (3). In the crystal, the cations and anions are linked by numerous C-H⋯F hydrogen bonds, thereby forming a three-dimensional network.

| S-EPMC3200788 | biostudies-literature

3,3'-Diphenyl-1,1'-[2,2'-oxybis(2,1-phenyl-ene)]diurea N,N-dimethyl-formamide disolvate.

Project description:In the structure of the title compound, C(26)H(22)N(4)O(3)·2C(3)H(7)NO, one of the DMF solvent mol-ecules is disordered over two sets of positions in a 0.5:0.5 ratio. In the 1,1'-[2,2'-oxybis(2,1-phenyl-ene)]bis-(3-phenyl-urea) mol-ecule, the two diphenyl-urea segments are linked via an ether O atom and are inclined at an angle of 53.80 (4)° to one another. In the crystal structure, classical N-H⋯O hydrogen bonds link each mol-ecule to two DMF solvent mol-ecules and these aggregates form columns down a through C-H⋯π inter-actions. Additional C-H⋯O inter-actions link the main mol-ecule and the solvent mol-ecules, forming columns of independent zigzag chains along b.

| S-EPMC2915353 | biostudies-literature

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-benzimidazolium) dibromide.

Project description:In the title mol-ecular salt, C(26)H(28)N(4) (2+)·2Br(-), the central benzene ring makes dihedral angles of 76.75?(11) and 82.40?(10)° with the pendant benzimidazole rings. The corresponding angle between the benzimidazole rings is 57.03?(9)°. In the crystal, the cations and anions are linked via C-H?Br hydrogen bonds, forming sheets lying parallel to the bc plane. The crystal structure also features weak C-H?? inter-actions.

| S-EPMC3297300 | biostudies-literature

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-heptyl-benzimidazolium) dibromide monohydrate.

Project description:In the title salt, C(36)H(48)N(4) (2+)·2Br(-)·H(2)O, the central benzene ring makes dihedral angles of 84.77?(9) and 69.92?(7)° with the adjacent imidazole rings. In the crystal, one of the heptyl groups is disordered over two sets of sites with an occupancy ratio of 0.474?(5):0.526?(5). In the crystal, the cations, anions and water mol-ecules are connected via inter-molecular O-H?Br, C-H?Br and C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3152130 | biostudies-literature

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) dibromide hemihydrate.

Project description:The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(-)·0.5H(2)O, contains one 3,3'-[1,2-phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation, two bromide anions and one half-mol-ecule of water. In the crystal, the whole 3,3'-[1,2-phen-yl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation and one of the bromide anions are each disordered over two positions with site-occupancy ratios of 0.751?(6):0.249?(6) and 0.680?(8):0.320?(8). For the major component of the disordered cation, the central benzene ring forms dihedral angles of 83.6?(5) and 88.2?(4)° with its adjacent imidazole rings, while these angles for the minor component are 89.2?(15) and 84.9?(13)°. In the crystal, the cations and anions are linked by C-H?Br hydrogen bonds into dimers and then stacked along the c axis. The crystal packing is further stabilized by C-H?? and ?-? inter-actions [shortest centroid-centroid distance = 3.646?(4)?Å].

| S-EPMC3275219 | 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