Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-N-[(1,3-Dihydro-naphtho[2,3-c]furan-4-yl)phenyl-methyl-ene]aniline.

ABSTRACT: The title compound, C(25)H(19)NO was synthesized by a Pd-catalysed intra-molecular Diels-Alders reaction. The dihedral angle between the two benzene rings is 82.33?(5)° and the dihedral angles between the hydro-naphtho[2,3-c]furan plane and the two benzene rings are 89.50?(3) and 77.64?(2)°. The O atom is displaced by 0.5929?(3)?Å from the hydro-naphtho[2,3-c]furan plane.

SUBMITTER: He ND

PROVIDER: S-EPMC2971443 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-N-[(1,3-Dihydro-naphtho[2,3-c]furan-4-yl)phenyl-methyl-ene]aniline.

He Ning-De ND Wang Wei W

Acta crystallographica. Section E, Structure reports online 20091017 Pt 11

The title compound, C(25)H(19)NO was synthesized by a Pd-catalysed intra-molecular Diels-Alders reaction. The dihedral angle between the two benzene rings is 82.33 (5)° and the dihedral angles between the hydro-naphtho[2,3-c]furan plane and the two benzene rings are 89.50 (3) and 77.64 (2)°. The O atom is displaced by 0.5929 (3) Å from the hydro-naphtho[2,3-c]furan plane. ...[more]

PMID: 21578374

Similar Datasets

3-(1,3-Benzodioxol-5-yl)-1-phenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine.

Project description:In the title compound, C(25)H(19)NO(3), the oxazine ring displays a half-chair conformation. The fused benzene ring is nearly parallel to the naphthyl ring system, the dihedral angle between this benzene ring and the naphthyl system being 8.52?(11)°. The imino group is not involved in hydrogen bonding in the crystal structure.

| S-EPMC2915215 | biostudies-literature

1,1'-[(2-Phenyl-2,3-dihydro-1H-benz-imidazole-1,3-di-yl)bis-(methyl-ene)]bis-(1H-benzotriazole).

Project description:The imidazole ring in the title compound, C(27)H(22)N(8), adopts a slight envelope conformation with the C atom carrying the phenyl ring being the flap atom. The phenyl ring is almost perpendicular to the mean plane of the imidazole ring [dihedral angle = 88.90 (7)°]. The (1H-benzotriazol-1-yl)methyl groups bound to the imidazole ring are positioned on the same side of the imidazole ring. The dihedral angle between these benzotriazolyl rings is 17.71 (5)°. The crystal packing is stabilized by a C-H⋯π inter-action, which connects the mol-ecules into zigzag chains running along the b axis.

| S-EPMC3274994 | biostudies-literature

2-Methyl-1-(phenyl-sulfon-yl)naphtho[2,1-b]furan.

Project description:The title compound, C(19)H(14)O(3)S, was prepared by the oxidation of 2-methyl-1-(phenyl-sulfan-yl)naphtho[2,1-b]furan with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 87.13?(4)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.850?(2)?Å] and weak C-H?? inter-actions. In addition, there are also intra-molecular C-H?O inter-actions.

| S-EPMC2961025 | biostudies-literature

2-Methyl-3-(phenyl-sulfon-yl)naphtho[1,2-b]furan.

Project description:In the title mol-ecule, C(19)H(14)O(3)S, the phenyl ring forms a dihedral angle of 69.13 (6)° with the plane of the naphthofuran fragment, being slightly tilted towards it. The crystal packing exhibits π-π inter-actions between the benzene rings from neighbouring mol-ecules [centroid-centroid distance = 3.616 (4) Å] and weak C-H⋯O and C-H⋯π inter-actions.

| S-EPMC2960217 | biostudies-literature

2-Methyl-1-(4-methyl-phenyl-sulfon-yl)naphtho-[2,1-b]furan.

Project description:In the title compound, C(20)H(16)O(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 83.07?(3)° with the mean plane [r.m.s. deviation = 0.020?(1)?Å] of the naphtho-furan fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions.

| S-EPMC3344130 | biostudies-literature

2-Methyl-1-(3-methyl-phenyl-sulfon-yl)naphtho-[2,1-b]furan.

Project description:In the title compound, C20H16O3S, the dihedral angle between the mean planes of the naphtho-furan and 3-methyl-phenyl fragments is 88.56 (2)°. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds, forming inversion dimers. These dimers are linked by π-π inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.701 (2) Å] into supra-molecular chains running along the a-axis direction.

| S-EPMC3998563 | biostudies-literature

2,2'-Bis(methyl-ene)-3,3'-(2-thioxo-2,3-dihydro-1H-benzimidazole-1,3-di-yl)dipropane-nitrile.

Project description:In the title compound, C(15)H(12)N(4)S, the benzimidazole ring is essentially planar, with a mean deviation of 0.0082?(1)?Å from the least-squares plane defined by the nine constituent atoms. In the crystal, inversion dimers linked by pairs of C-H?N hydrogen bonds occur.

| S-EPMC2971137 | biostudies-literature

1-(4-Bromo-phenyl-sulfin-yl)-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(13)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 83.75?(4)° with the mean plane of the naphtho-furan fragment [r.m.s. deviation = 0.024?(2)?Å]. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers. These dimers are connected by weak ?-? inter-actions between the central naphtho-furan benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.483?(2)?Å, inter-planar distance = 3.416?(2)?Å and slippage = 0.680?(2)?Å].

| S-EPMC3344175 | biostudies-literature

1-(4-Bromo-phenyl-sulfon-yl)-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(13)BrO(3)S, the 4-bromo-phenyl ring makes a dihedral angle of 64.11?(2)° with the mean plane [r.m.s. deviation = 0.01?(2)?Å] of the naphtho-furan ring. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions. The crystal structure also exhibits slipped ?-? inter-actions between the central naphtho-furan benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.559?(2), slippage = 1.036?(2)?Å], and between the central naphtho-furan benzene ring and the furan ring of neighbouring mol-ecules [centroid-centroid distance = 3.655?(2), slippage = 1.136?(2)?Å].

| S-EPMC3414189 | biostudies-literature

3-(4-Chloro-phenyl-sulfon-yl)-2-methyl-naphtho[1,2-b]furan.

Project description:The title compound, C(19)H(13)ClO(3)S, was prepared by the oxidation of 3-(4-chloro-phenyl-sulfan-yl)-2-methyl-naphtho[1,2-b]furan with 3-chloro-peroxy-benzoic acid. The 4-chloro-phenyl ring makes a dihedral angle of 68.59?(5)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.635?(3)?Å], and by C-H?? inter-actions between a methyl H atom and the furan ring of an adjacent mol-ecule. In addition, the crystal structure exhibits inter-molecular C-H?O inter-actions.

| S-EPMC2961290 | 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