Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,6-Dimethyl-o-phenyl-enedimethanol.

ABSTRACT: The title compound, C(10)H(14)O(2), synthesized by reduction of 4,7-dimethyl-2-benzofuran-1,3-dione, crystallizes with two independant mol-ecules in the asymmetric unit, both showing an intra-molecular O-H?O hydrogen bond. The crystal packing is stabilized by O-H?O hydrogen bonds.

SUBMITTER: Gondal HY

PROVIDER: S-EPMC2980279 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,6-Dimethyl-o-phenyl-enedimethanol.

Gondal Humaira Yasmeen HY Ali Muhammad M Krief Alain A Zia-Ur-Rehman Muhammad M

Acta crystallographica. Section E, Structure reports online 20091219 Pt 1

The title compound, C(10)H(14)O(2), synthesized by reduction of 4,7-dimethyl-2-benzofuran-1,3-dione, crystallizes with two independant mol-ecules in the asymmetric unit, both showing an intra-molecular O-H⋯O hydrogen bond. The crystal packing is stabilized by O-H⋯O hydrogen bonds. ...[more]

PMID: 21580073

Similar Datasets

3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one.

Project description:The title compound, C(14)H(12)N(2)O(2), is almost planar with an r.m.s. deviation for all non-H atoms of 0.038?Å. The observed planarity is rationalized in terms of a close intra-molecular C-H?O inter-action. Supra-molecular layers, two mol-ecules thick and with a step topology, are formed in the crystal packing via C-H?O contacts involving the carbonyl O atom, which accepts two such bonds, and ?-? inter-actions between the components of the fused ring system and the phenyl ring of inversion-related mol-ecules [centroid-centroid distances = 3.6819?(13) and 3.6759?(12)?Å].

| S-EPMC3344066 | biostudies-literature

5-Chloro-3,6-dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one.

Project description:In the title compound, C(14)H(11)ClN(2)O(2), two independent mol-ecules (A and B) comprise the asymmetric unit with the main difference between them being the relative orientation of the pendent phenyl ring with respect to the fused-ring system [dihedral angles = 8.32?(8)° (A) and 28.32?(8)° (B)]. In the crystal, the A mol-ecules are connected into a linear supra-molecular chain along the a axis via C-H?O inter-actions and linked to this via C-H?Cl inter-actions are the B mol-ecules. The chains are connected into layers in the ab plane by ?-? inter-actions between pyrazole (A) and pyran (B) rings, and between pyrazole (B) and pyran (A) rings [centroid-centroid distances = 3.5442?(11) and 3.4022?(10)?Å, respectively].

| S-EPMC3394042 | biostudies-literature

rac-5-Acetyl-6-hy-droxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetra-hydro-2H-indazole.

Project description:The title compound, C(17)H(20)N(2)O(2), is chiral but crystallizes in a centrosymmetric space group as a racemate, the relative configuration at the stereogenic centres being 2S*,3R*,4S*. The cyclo-hexane ring adopts a half-chair conformation while the pyrazole ring has an envelope conformation. The crystal packing displays inter-molecular O-H⋯N and N-H⋯O hydrogen bonding.

| S-EPMC3089358 | biostudies-literature

rac-5-Acetyl-6-hy-droxy-3,6-dimethyl-4-phenyl-2H-4,5,6,7-tetra-hydro-indazol-1-ium chloride.

Project description:The structure of the title compound, C(17)H(21)N(2)O(2) (+)·Cl(-), is of inter-est with respect to its biological activity. The title compound comprises an organic cation and a chloride anion in the asymmetric unit. The positive charge is localized in a pyrazole moiety forming a pyrazolium cation. The structure displays inter-molecular O-H?Cl and N-H?Cl hydrogen bonding.

| S-EPMC3006733 | biostudies-literature

(3,6-Dibromo-o-phenyl-ene)dimethanol.

Project description:The title compound, C(8)H(8)Br(2)O(2), was synthesized from the hydrolysis of 1,4-dibromo-2,3-bis-(bromo-meth-yl)benzene. One intra-molecular O-H⋯O and two intra-molecular C-H⋯Br inter-actions occur. In the crystal, mol-ecules are linked into a chain running parallel to [010]. Adjacent chains are linked into a two-dimensional layer by a combination of inter-molecular O-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC3051438 | biostudies-literature

4-(Dimethyl-amino)phenyl phenyl ketone.

Project description:In the crystal structure of the title compound, C(15)H(15)NO, the two benzene rings are twisted from each other by a dihedral angle of 47.97 (4)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯π inter-actions, and π-π inter-actions with a centroid-centroid distance of 3.8493 (5) Å are observed.

| S-EPMC2962007 | biostudies-literature

3,6-Dimethyl-1-phenyl-4-(2-thien-yl)-8-(2-thienylmethyl-ene)-5,6,7,8-tetra-hydro-1H-pyrazolo[3,4-b][1,6]naphthyridine.

Project description:In the mol-ecule of the title compound, C(26)H(22)N(4)S(2), the pyrazole ring is oriented at a dihedral angle of 0.85 (3)° with respect to the adjacent naphthyridine ring, while the other ring of naphthyridine adopts an envelope conformation. The dihedral angle between phenyl and pyrazole rings is 87.65 (3)°. In the crystal structure, weak inter-molecular C-H⋯N inter-actions link the mol-ecules into chains. The π-π contacts between the naphthyridine rings and the naphthyridine and thio-phene rings [centroid-centroid distances = 3.766 (3) and 3.878 (3) Å] may further stabilize the structure. A weak C-H⋯π inter-action is also present.

| S-EPMC2977787 | biostudies-literature

3,6-Dimethyl-N,N-bis-(1-phenyl-eth-yl)-1,4-dihydro-1,2,4,5-tetra-zine-1,4-dicarboxamide.

Project description:In the title mol-ecule, C(22)H(26)N(6)O(2), the central tetra-zine ring exhibits a boat conformation, and the two phenyl rings form a dihedral angle of 88.39?(6)°. In the crystal, weak N-H?O and C-H?O hydrogen bonds link mol-ecules into layers parallel to the ab plane.

| S-EPMC3275185 | biostudies-other

1-(3,5-Dimethyl-phenyl)-2-(4-fluoro-phenyl)-4,5-dimethyl-1H-imidazole.

Project description:In the title compound, C(19)H(19)FN(2), the imidazole ring is essentially planar [maximum deviation of 0.0015?(9)?Å] and makes dihedral angles of 77.61?(9) and 26.93?(10)° with the benzene rings attached to nitro-gen and carbon, respectively. The dihedral angle between the two benzene rings is 78.84?(8)°. A C-H?? inter-action is found in the crystal structure.

| S-EPMC3089216 | biostudies-literature

2,5-Dimethyl-phenyl benzoate.

Project description:In the title compound, C(15)H(14)O(2), the plane of the central -C(=O)-O- group is inclined at an angle of 3.7 (2)° with respect to the benzoate ring. The two benzene rings are almost perpendicular, making a dihedral angle of 87.4 (1)°. In the crystal, mol-ecules are packed into infinite chains through weak C-H⋯π inter-actions.

| S-EPMC2969038 | 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