Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Decyl-phenyl 4-benz-yloxy-3-methyl-benzoate.

ABSTRACT: In the title compound, C(31)H(38)O(3), the central benzene ring makes dihedral angles of 66.06?(9) and 65.21?(8)°, respectively, with the benzyl and 4-decyl-phenyl rings.

SUBMITTER: Kashi HK

PROVIDER: S-EPMC3007531 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Decyl-phenyl 4-benz-yloxy-3-methyl-benzoate.

Kashi H K Arun HK Palakshamurthy B S BS Vinduvahini M M Srinivasa H T HT Devarajegowda H C HC

Acta crystallographica. Section E, Structure reports online 20100724 Pt 8

In the title compound, C(31)H(38)O(3), the central benzene ring makes dihedral angles of 66.06 (9) and 65.21 (8)°, respectively, with the benzyl and 4-decyl-phenyl rings. ...[more]

PMID: 21588415

Similar Datasets

Methyl 4-benz-yloxy-2-hy-droxy-benzoate.

Project description:In the title compound, C15H14O4, the dihedral angle between the benzene rings is 67.18 (8)°. The Ca-Cm-O-Ca (a = aromatic and m = methyl-ene) torsion angle is 172.6 (3)° and an intra-molecular O-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into zigzag chains propagating in [001] and C-H⋯π inter-actions also occur.

| S-EPMC3588978 | biostudies-literature

4-(Benz-yloxy)phenyl 4-hexa-dec-yloxy-3-meth-oxy-benzoate.

Project description:In the title compound, C(37)H(50)O(5), the central benzene ring makes dihedral angles of 39.72?(14) and 64.43?(13)° with the benzyl and 3-meth-oxy-benzoate rings, respectively. The crystal structure is stabilized by inter-molecular C-H?? inter-actions involving the central benzene ring and the benzene ring closest to the aliphatic chain.

| S-EPMC3100024 | biostudies-literature

8-Benz-yloxy-2-methyl-3-(2-methyl-phenyl)quinazolin-4(3H)-one.

Project description:In the title methaqua-lone analogue, C(23)H(20)N(2)O(2), the planes of the terminal aromatic rings [dihedral angle between them = 64.52 (7)°] approximately face the fused-ring methyl group and both are twisted with respect to the pyrimidine plane (r.m.s. deviation = 0.028 Å), forming dihedral angles of 86.9 (3) (with the 2-tolyl ring) and 65.57 (7)°. The 2-tolyl residue is disordered over two almost coplanar but opposite orientations with the major component having a site-occupancy factor of 0.893 (3). The three-dimensional crystal packing is consolidated by C-H⋯O, C-H⋯π and π-π [2-tol-yl-2-tolyl centroid-centroid distance = 3.8099 (6) Å] inter-actions.

| S-EPMC3297916 | biostudies-literature

Phenyl 4-methyl-benzoate.

Project description:The structure of the title compound, C(14)H(12)O(2), resembles those of phenyl benzoate and 4-methyl-phenyl benzoate, with similar bond parameters. The two aromatic rings make a dihedral angle of 76.0?(1)°. The plane of the central -C(=O)-O- group is twisted by 9.4?(2)° out of the plane of the benzoyl ring, and by 83.3?(1)° out of the plane of the phenyl ring. The crystal structure exhibits weak parallel stacking of the benzoyl rings, with an inter-planar distance of 3.65?Å and an offset of 1.84?Å. The methyl group shows orientational disorder.

| S-EPMC2971075 | biostudies-literature

2-Methyl-phenyl 4-methyl-benzoate.

Project description:The conformation of the C=O bond in the title compound 2MP4MBA, C(15)H(14)O(2), is anti to the ortho-methyl group in the phen-oxy ring. The bond parameters in 2MP4MBA are similar to those in 3-methyl-phenyl 4-methyl-benzoate (3MP4MBA), 4-methyl-phenyl 4-methyl-benzoate (4MP4MBA) and other aryl benzoates. The dihedral angle between the two aromatic rings in 2MP4MBA is 73.04?(8)°.

| S-EPMC2962198 | biostudies-literature

6-Benz-yloxy-2-phenyl-pyridazin-3(2H)-one.

Project description:In the title compound, C(17)H(14)N(2)O(2), the central pyridazine ring forms dihedral angles of 47.29?(5) and 88.54?(5)° with the benzene rings, while the dihedral angle between the benzene rings is 62.68?(6)°. In the crystal, molecules are linked by two weak C-H?O hydrogen bonds and three weak C-H?? inter-actions.

| S-EPMC3379247 | biostudies-literature

1-(2,3,5,6-Tetra-methyl-benz-yloxy)-1H-benzotriazole.

Project description:In the title compound, C(17)H(19)N(3)O, the benzotriazole ring is essentially planar, with a maximum deviation of 0.0069 (15) Å. The mean plane of the benzotriazole ring forms a dihedral angle of 13.16 (4)° with the mean plane of the benzene ring. The crystal packing is stabilized by π-π stacking inter-actions, with a centroid-centroid distance of 3.8077 (12) Å, together with weak C-H⋯π inter-actions. Mol-ecules are stacked along the a axis.

| S-EPMC2968946 | biostudies-literature

5,7-Bis(benz-yloxy)-2-phenyl-4H-chromen-4-one.

Project description:In the title compound, C(29)H(22)O(4), the chromene ring is almost planar with a small puckering [0.143 (2) Å]. The crystal structure is stabilized by C-H⋯O and C-H⋯π inter-actions. Edge-to-face (centroid-centroid distances of 3.894 and 3.673 Å) and face-to-face (centroid-centroid distance of 3.460 Å) π-π-ring electron inter-actions are also observed.

| S-EPMC2959925 | biostudies-literature

5-Benz-yloxy-3-methyl-1-tosyl-1H-indole.

Project description:The title compound, C23H21NO3S, represents one of the few examples of a 5-substituted indole with a toluene-sulfonyl group bonded to the N atom. The benzyl group adopts a synclinal geometry with respect to the indole ring [dihedral angle = 59.95?(4)°], while the tolyl ring is oriented close to perpendicular to the indole ring, making a dihedral angle of 81.85?(3)°. The indole N atom exhibits a slight pyramidalization.

| S-EPMC3685113 | biostudies-literature

Methyl 4-(benz-yloxy)-3-meth-oxy-benzo-ate.

Project description:In the title compound, C16H16O4, the aromatic rings are almost normal to one another, making a dihedral angle of 85.81?(10)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains propagating along the b-axis direction. There are also C-H?? inter-actions present which link the chains, forming two-dimensional networks lying parallel to (102).

| S-EPMC3790423 | 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