Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Phenyl-1-(p-tol-yl)-1H-benzo[f]chromene benzene hemisolvate.

ABSTRACT: The title compound, C(26)H(20)O·0.5C(6)H(6), was obtained from condensation reaction of 2-naphthol, 4-methyl-benzaldehyde and phenyl-methanamine. The naphthyl ring system is orented at dihedral angles of 84.11?(1) and 19.33?(8)° with respect to the mean planes of the two benzene rings.

SUBMITTER: Xue MW

PROVIDER: S-EPMC3152100 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Phenyl-1-(p-tol-yl)-1H-benzo[f]chromene benzene hemisolvate.

Xue Meng Wei MW

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

The title compound, C(26)H(20)O·0.5C(6)H(6), was obtained from condensation reaction of 2-naphthol, 4-methyl-benzaldehyde and phenyl-methanamine. The naphthyl ring system is orented at dihedral angles of 84.11 (1) and 19.33 (8)° with respect to the mean planes of the two benzene rings. ...[more]

PMID: 21837067

Similar Datasets

2-(Naphthalen-1-yl)-1-phenyl-1H-benzimid-azole benzene hemisolvate.

Project description:In the title compound, C23H16N2·0.5C6H6, the benzimidazole unit [maximum deviation = 0.0258 (6) Å] and the naphthalene ring system [maximum deviation = 0.0254 (6) Å] are both essentially planar and make a dihedral angle of 61.955 (17)°. The imidazole ring makes dihedral angle of 61.73 (4)° with the phenyl ring. An intra-molecular C-H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, seven weak C-H⋯π inter-actions involving the fused ring system, the benzene solvent mol-ecule, the imidazole phenyl rings are observed, leading to a three-dimensional architecture.

| S-EPMC3914093 | biostudies-literature

2-Chloro-N-(4-chloro-benzo-yl)benzene-sulfonamide toluene hemisolvate.

Project description:The unit cell of the title compound, C(13)H(9)Cl(2)NO(3)S·0.5C(7)H(8), contains two mol-ecules of 2-chloro-N-(4-chloro-benzo-yl)benzene-sulfonamide and one toluene mol-ecule, which is disordered about a centre of inversion. The dihedral angle between the two aromatic rings is 85.7?(1)°. In the crystal, mol-ecules are linked by pairs of N-H?O(S) hydrogen bonds, forming centrosymmetric dimers.

| S-EPMC3050374 | biostudies-literature

Ethyl 3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxyl-ate.

Project description:The pyranyl ring of the title compound, C(22)H(19)NO(3), adopts a flattened-boat conformation. The dihedral angle between naphthalene and phenyl rings is 78.3 (1)°The mol-ecule also features an intra-molecular N-H⋯O(carbon-yl) hydrogen bond. Adjacent mol-ecules are linked by an inter-molecular N-H⋯O(carbon-yl) hydrogen bond, forming a zigzag chain that runs along the c axis.

| S-EPMC2969098 | biostudies-literature

4,5-Dimethyl-2-phenyl-1-(p-tol-yl)-1H-imidazole.

Project description:In the title compound, C(18)H(18)N(2), the imidazole ring is essentially planar [maximum deviation = 0.004?(1)?Å] and makes dihedral angles of 68.91?(8) and 20.43?(9)° with the tolyl and phenyl rings, respectively. The dihedral angle between the latter rings is 73.62?(8)°. The crystal packing is stabilized by inter-molecular C-H?N hydrogen bonds.

| S-EPMC3009043 | biostudies-literature

7-Bromo-2-phenyl-1-(phenyl-sulfin-yl)naphtho[2,1-b]furan benzene hemisolvate.

Project description:The title compound, C(24)H(15)BrO(2)S·0.5C(6)H(6), crystallizes as a benzene hemisolvate. The O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the naphthofuran fragment, and the phenyl ring is almost perpendicular to the plane of the naphthofuran fragment [83.78?(8)°] and is tilted slightly towards it. The 2-phenyl ring is rotated out of the naphthofuran plane by a dihedral angle of 25.2?(1)°. The crystal structure is stabilized by aromatic ?-? inter-actions between the central benzene ring and the furan ring of the neighbouring naphthofuran systems [centroid-centroid distance = 3.611?(3)?Å], and by inter-molecular C-H?? inter-actions between the benzene H atom of the phenyl-sulfinyl substituent and the 2-phenyl ring of an adjacent mol-ecule. In addition, the crystal structure exhibits a weak non-classical inter-molecular C-H?O hydrogen bond.

| S-EPMC2977353 | biostudies-literature

1,3-Bis(4-chloro-phen-yl)-1-methyl-1H-benzo[f]chromene.

Project description:The title compound, C(26)H(18)Cl(2)O, is a heterocyclic structure consisting of a benzo[f]chromene ring and two aromatic rings. The non-H atoms of the benzo[f]chromene ring are almost coplanar (rms deviation = 0.107 Å), and the methyl C atom lies 1.340 (4) Å from the mean plane of the benzo[f]chromene ring. The chromene ring forms dihedral angles of 88.45 (2)° with the benzene ring linked to the quaternary C atom and 50.74 (3)° with the benzene ring linked to the 3-position, while the dihedral angle between the two benzene rings is 67.58 (3)°.

| S-EPMC3006997 | biostudies-literature

3-Amino-1-phenyl-1H-benzo[f]chromene-2-carbonitrile.

Project description:In the title compound, C20H14N2O, the phenyl ring is almost normal to the naphthalene ring system with a dihedral angle of 86.72?(9)°. The 4H-pyran ring fused with the naphthalene ring system has a boat conformation. In the crystal, mol-ecules are linked into a helical supra-molecular chain along the b axis via N-H?N hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C-H?? inter-actions.

| S-EPMC3588429 | biostudies-other

2-[(1H-Benzimidazol-1-yl)meth-yl]phenol benzene hemisolvate.

Project description:In the title solvate, C14H12N2O·0.5C6H6, the complete benzene molecule is generated by a crystallographic inversion centre. The dihedral angle between the planes of the benzimidazole moiety and the phenol substituent is 75.28?(3)°. In the crystal, O-H?N hydrogen bonds link the mol-ecules into parallel chains propagating along [100]. The mol-ecules are further connected by C-H?? inter-actions.

| S-EPMC3998331 | biostudies-other

4-[(5-Hydr-oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenyl-meth-yl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one ethanol hemisolvate.

Project description:The asymmetric unit of the title compound, C(27)H(24)N(4)O(2)·0.5C(2)H(6)O, comprises two crystallographically independent mol-ecules (A and B) with slightly different conformations, and one ethanol mol-ecule of crystallization. Intra-molecular C-H⋯O and O-H⋯O hydrogen bonds generate six- and eight-membered rings, producing S(6) and S(8) ring motifs, respectively. In mol-ecule A, one of the benzene rings is disordered over two positions, with site-occupancy factors of 0.542 (11) and 0.458 (11). The dihedral angles between the central benzene ring and the two outer benzene rings are 73.88 (9) and 82.6 (2)/88.9 (2)° in mol-ecule A, and 80.81 (8) and 79.38 (8)° in mol-ecule B. In the crystal structure, mol-ecules form infinite one-dimensional chains in the (101) plane. The crystal structure is stabilized by inter-molecular O-H⋯N, N-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds, weak C-H⋯π and π-π [centroid-centroid = 3.5496 (1) Å] inter-actions.

| S-EPMC2967978 | 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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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