Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

9-[(2-Chloro-benz-yl)amino]-5-(3,4,5-trimeth-oxy-phen-yl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one.

ABSTRACT: In the title compound, C(29)H(28)ClNO(7), the tetra-hydro-furan ring and the six-membered ring fused to it both display envelope conformations. The dihedral angles between the plane of the benzene ring of the benzo[d][1,3]dioxole system and the planes of the other two benzene rings are 80.59?(3) and 63.60?(2)°.

SUBMITTER: Zhu TL

PROVIDER: S-EPMC3120584 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

9-[(2-Chloro-benz-yl)amino]-5-(3,4,5-trimeth-oxy-phen-yl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one.

Zhu Tie-Liang TL Jin Jie-Ru JR Chen Hong H Chen Li-Ting LT Liu Jing J

Acta crystallographica. Section E, Structure reports online 20110525 Pt 6

In the title compound, C(29)H(28)ClNO(7), the tetra-hydro-furan ring and the six-membered ring fused to it both display envelope conformations. The dihedral angles between the plane of the benzene ring of the benzo[d][1,3]dioxole system and the planes of the other two benzene rings are 80.59 (3) and 63.60 (2)°. ...[more]

PMID: 21754859

Similar Datasets

9-[(Furan-2-ylmeth-yl)amino]-5-(3,4,5-trimeth-oxy-phen-yl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one.

Project description:In title compound, C(27)H(27)NO(8), the dihydrofuran-2(3H)-one ring and the six-membered ring fused to it both display envelope conformations. The dihedral angle between the benzene ring of the benzo[d][1,3]dioxole group and the other benzene ring is 60.59?(2)°. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. The furan ring is disordered over two sets of sites with occupancies of 0.722?(7) and 0.278?(7).

| S-EPMC3213528 | biostudies-literature

9-[(2-Meth-oxy-benz-yl)amino]-5-(3,4,5-trimeth-oxy-phen-yl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one.

Project description:In the title compound, C(30)H(31)NO(8), the tetra-hydro-furan ring and the six-membered ring fused to it both display envelope conformations, both having the same C atom as the flap. The dihedral angles between the benzene ring of the benzo[d][1,3]dioxole ring system and the other two benzene rings are 53.73?(3) and 83.30?(2)°. An intra-molecular N-H?O hydrogen bond is present. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into chains parallel to the c axis.

| S-EPMC3393313 | biostudies-literature

9-{[4-(Dimethyl-amino)-benz-yl]amino}-5-(3,4,5-trimeth-oxy-phen-yl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one.

Project description:In the title compound, C(31)H(34)N(2)O(7), the fused tetra-hydro-furan and six-membered rings each display an envelope conformation. The dihedral angles between the benzene ring of the benzo[d][1,3]dioxole and the other two benzene rings are 89.68?(3) and 63.38?(2)°. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules.

| S-EPMC3120627 | biostudies-literature

9-{[4-(Dimethyl-amino)-benzyl]amino}-5-(4-hy-droxy-3,5-dimeth-oxy-phenyl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one methanol monosolvate.

Project description:In the title compound, C(30)H(32)N(2)O(7)·CH(4)O, the tetra-hydro-furan ring and the six-membered ring fused to it both display envelope conformations, with the ring C atom opposite the carbonyl group and the adjacent bridgehead C atom as the flaps, respectively. In the crystal structure, inter-molecular O-H?O hydrogen bonds link all moieties into ribbons along [010]. Weak inter-molecular C-H?O inter-actions consolidate the crystal packing further.

| S-EPMC3247436 | biostudies-literature

3,4,5-Trimeth-oxy-4'-methyl-biphen-yl.

Project description:In the title compound, C16H18O3, the dihedral angle between the benzene rings is 33.4?(2)°. In the crystal, mol-ecules are packed in a zigzag arrangement along the b-axis and are inter-connected via weak C-H?O hydrogen bonds, and C-H?? inter-actions involving the meth-oxy groups and the benzene rings of neighbouring molecules.

| S-EPMC3648328 | biostudies-literature

N-(4-Bromo-phen-yl)-3,4,5-trimeth-oxy-benzamide.

Project description:In the title compound, C(16)H(16)BrNO(4), the dihedral angle between the two aromatic rings is 67.51?(25)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds involving the N-H and C=O groups of the amide function, leading to a chain along [-101].

| S-EPMC3379256 | biostudies-literature

3,4,5-Trimeth-oxy-N-(2-methoxy-phen-yl)benzamide.

Project description:In the title mol-ecule, C(17)H(19)NO(5), the amide plane is oriented at an angle of 41.5?(3)° with respect to the 2-methoxy-benzene ring. The three meth-oxy groups lie almost in the plane of the aromatic rings to which they are attached [C-O-C-C torsion angles of of 0.7?(4), -13.4?(4) and 3.1?(4)°], whereas the meth-oxy group at the 4-position of the 3,4,5-trimethoxy-benzene ring is nearly perpendicularly oriented [C-O-C-C torsion angle of 103.9?(3)°]. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains along [001].

| S-EPMC2977507 | biostudies-literature

N-(4-Hy-droxy-phen-yl)-3,4,5-trimeth-oxy-benzamide.

Project description:In the title amide compound, C(16)H(17)NO(5), the dihedral angle between the benzene rings is 71.59?(4)°. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into a two-dimensional array parallel to the ab plane.

| S-EPMC3247600 | biostudies-literature

5-Chloro-2-(3,4,5-trimeth-oxy-phen-yl)-1,3-benzothia-zole.

Project description:In the title compound, C(16)H(14)ClNO(3)S, the dihedral angle between the almost-planar benzothia-zole ring system [maximum deviation = 0.012?(3)?Å] and the aromatic ring of the trimeth-oxy-phenyl group is 15.56?(6)°. In the crystal, the mol-ecules are arranged into layers parallel to the bc plane, held together only by weak van der Waals forces.

| S-EPMC3470404 | biostudies-literature

5-(3,4,5-Trimeth-oxy-phen-yl)-1,3,4-oxadiazole-2(3H)-thione.

Project description:The two rings in the title compound, C(11)H(12)N(2)O(4)S, are roughly coplanar [dihedral angle = 6.77?(8)°]. Whereas the two outer methyl groups of the three meth-oxy groups are almost coplanar with the aromatic ring to which they are attached [C-C-O-C torsion angles = 8.5?(3) and -8.3?(3)°], the methyl group of the central meth-oxy substituent is not [C-C-C-C = -78.4?(3)°]. The crystal packing is stabilized by N-H?O hydrogen bonding.

| S-EPMC3007562 | 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