Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,2,4-Trimeth-oxy-dibenzo[b,d]furan-3-ol.

ABSTRACT: The title compound, C(15)H(14)O(5), is a natural product, isolated from Sorbus lanata Syn. Pyrus lanata (D. Don) found in Pakistan. The compound is composed of three spiro-fused rings. The dihedral angle between the mean planes of the benzene rings is 4.81?(13)°. The meth-oxy groups are oriented at dihedral angles of 74.44?(14), 83.0?(2) and 66.3?(2)° with respect to the planes of the benzene rings to which they are attached. The mol-ecule is consolidated by three intra-molecular O-H?O and C-H?O hydrogen bonds. In the crystal, mol-ecules are linked by inter-molecular O-H?O hydrogen bonds, forming infinite chains along the b axis.

SUBMITTER: Yousuf S

PROVIDER: S-EPMC3011800 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1,2,4-Trimeth-oxy-dibenzo[b,d]furan-3-ol.

Yousuf S S Latif A A Arfan M M Choudhary M I MI

Acta crystallographica. Section E, Structure reports online 20101106 Pt 12

The title compound, C(15)H(14)O(5), is a natural product, isolated from Sorbus lanata Syn. Pyrus lanata (D. Don) found in Pakistan. The compound is composed of three spiro-fused rings. The dihedral angle between the mean planes of the benzene rings is 4.81 (13)°. The meth-oxy groups are oriented at dihedral angles of 74.44 (14), 83.0 (2) and 66.3 (2)° with respect to the planes of the benzene rings to which they are attached. The mol-ecule is consolidated by three intra-molecular O-H⋯O and C-H⋯O ...[more]

PMID: 21589376

Similar Datasets

2,9,10-Trimeth-oxy-dibenzo[b,d]oxepin-7(6H)-one.

Project description:The title compound, C(17)H(16)O(5), was prepared through a cyclization reaction of 2-(3',4',5-trimeth-oxy-biphenyl-2-yl-oxy)acetyl chloride. The two benzene rings form a dihedral angle of 34.55?(5)°. The crystal structure does not feature any hydrogen bonds.

| S-EPMC3254538 | biostudies-literature

4,6-Di-tert-butyl-2,8-dimeth-oxy-dibenzo[b,d]furan.

Project description:In the title compound, C(22)H(28)O(3), the dihedral angle between the benzene rings is 3.47 (13)° and the five-membered furan ring is essentially planar with a largest deviation of 0.0052 (14) Å. The Csp(2)-Csp(2) bond length between the two benzene rings [1.443 (3) Å] is considerably shorter than those between the benzene and tertiary C atoms [1.538 (3) and 1.530 (3) Å], which are sp(2)-sp(3) hybridized. C-H⋯π inter-actions involving the furan and benzene rings are found in the crystal structure.

| S-EPMC3239001 | biostudies-literature

(S,Z)-1-Chloro-3-[(3,4,5-trimeth-oxy-benzyl-idene)amino]-propan-2-ol.

Project description:In the title compound, C(13)H(18)ClNO(4), the two meth-oxy groups at the meta positions of the attached benzene ring are close to being coplanar with the ring [the meth-oxy C atoms deviate by 0.267 (7) and 0.059 (7) Å], whereas the third meth-oxy group at the para position is not coplanar with the benzene ring [methoxy C atom deviates by 1.100 (6) Å]. In the crystal, mol-ecules are linked into a chain along the a axis by O-H⋯N hydrogen bonds.

| S-EPMC3051781 | biostudies-literature

3,4,5-Trimeth-oxy-phenol.

Project description:The asymmetric unit of the title compound, C(9)H(12)O(4), consists of two crystallographically independent mol-ecules with similar conformations: essentially planar [r.m.s deviations for C(6)O(4) = 0.0057 and 0.0137?Å] except for the central meth-oxy-methyl group [C-C-O-C torsion angles = 83.3?(2) and 83.9?(2)°]. In the crystal, O-H?O hydrogen bonds link the mol-ecules, generating supra-molecular chains along the b axis.The three-dimensional crystal structure is stabilized by C-H?O and C-H?? inter-actions.

| S-EPMC3515255 | biostudies-literature

2,4,5-Trimeth-oxy-benzaldehyde monohydrate.

Project description:In the title compound, C(10)H(12)O(4)·H(2)O, the 2,4,5-trimeth-oxy-benzaldehyde mol-ecule is almost planar (rms deviation = 0.0183?Å). There is an R(1) (2)(5) ring motif due to O-H?O hydrogen bonding. In the crystal, the mol-ecules are stabilized in the form of one-dimensional polymeric chains extending along [010] due to O-H?O hydrogen bonding with adjacent water mol-ecules. The H atoms involved in inter-molecular hydrogen bonding are disordered over two sets of sites of equal occupancy.

| S-EPMC3011575 | biostudies-literature

Trimeth-yl(triphenyl-meth-oxy)silane.

Project description:In the title mol-ecule, C(22)H(24)OSi, the Si-O-C angle is 139.79?(11)°, the O-C-C angles of the triphenyl-meth-oxy group are in the range 106.13?(13)-109.22?(14)° and the O-Si-C angles of the trimethyl-sil-yloxy group are in the range 103.08?(10)-113.53?(10)°. In the crystal, face-to-face ?-? interactions are observed between the phenyl rings [centroid separation = 4.194?(1)?Å, interplanar spacing = 3.474?Å and centroid shift = 2.35?Å]. The three phenyl groups of the triphenyl-methyl substituent are mutually nearly perpendicular, with dihedral angles in the range 80.49?(8)-81.53?(8)°. There are only weak inter-molecular van der Waals inter-actions in the crystal.

| S-EPMC3275290 | biostudies-literature

1,2,3-Trimeth-oxy-4,5,6-trinitro-benzene.

Project description:In the title mol-ecule, C(9)H(9)N(3)O(9), the three neighbouring nitro groups are tilted with respect to the benzene mean plane by 75.8?(1), 27.7?(1) and 68.1?(1)°. The methyl C atoms of the three neighbouring meth-oxy groups deviate from this plane by 0.976?(4), -1.425?(4) and 0.632?(4)?Å. The crystal packing exhibits weak C-H?O inter-actions.

| S-EPMC3295474 | biostudies-literature

(E)-1-(Furan-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title chalcone derivative, C(16)H(16)O(5), the dihedral angle between the furan and benzene rings is 2.06?(17)°. The two meth-oxy groups at the ortho and para positions are essentially coplanar with the benzene ring [C-O-C-C angles = -1.0?(5) and 178.5?(3)°], whereas the third one at the meta position is slightly twisted [C-O-C-C = 9.6?(5)°]. In the crystal, weak C-H?O inter-actions link the mol-ecules into a sheet parallel to ([Formula: see text]02). An inter-molecular ?-? inter-action between the furan and benzene rings is present [centroid-centroid distance = 3.772?(2)?Å]. A short C?C contact [3.173?(5)?Å] is also observed between neighbouring furan rings.

| S-EPMC3275007 | biostudies-other

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

4,6-Bis(diphenyl-phosphan-yl)dibenzo[b,d]furan.

Project description:The asymmetric unit of the title compound, C(36)H(26)OP(2), comprises two mol-ecules which have slightly different conformations of the phenyl ring substituents. In both mol-ecules, the dibenzofuran unit is close to being planar, with dihedral angles of 3.20 (3) and 1.86 (2)° for the two mol-ecules. Its planarity affects the intra-molecular distances between P atoms, with P⋯P distances of 5.574 (2) and 5.485 (2) Å for the two mol-ecules.

| S-EPMC3238969 | 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