Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2-Dimethyl-5-triphenyl-methyl-1,3-dioxane.

ABSTRACT: The title compound, C(25)H(26)O(2), crystallizes with two crystallographically independent mol-ecules in the asymmetric unit. The differences between the two mol-ecules are marginal. The three benzene rings of each mol-ecule are in a propeller orientation and the 1,3-dioxane ring adopts a chair conformation.

SUBMITTER: Zhang M

PROVIDER: S-EPMC2968387 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2-Dimethyl-5-triphenyl-methyl-1,3-dioxane.

Zhang Min M Yuan Xian-You XY Liu Xing-Ming XM

Acta crystallographica. Section E, Structure reports online 20090114 Pt 2

The title compound, C(25)H(26)O(2), crystallizes with two crystallographically independent mol-ecules in the asymmetric unit. The differences between the two mol-ecules are marginal. The three benzene rings of each mol-ecule are in a propeller orientation and the 1,3-dioxane ring adopts a chair conformation. ...[more]

PMID: 21581913

Similar Datasets

2-Ethyl-5-triphenyl-methyl-1,3-dioxane.

Project description:In the title compound, C(25)H(26)O(2), the dioxane ring adopts a chair conformation with the two substituent groups occupying equatorial positions.

| S-EPMC2983286 | biostudies-literature

2,2-Dimethyl-5-[(2-nitro-anilino)methyl-idene]-1,3-dioxane-4,6-dione.

Project description:The crystal of the title compound, C(13)H(12)N(2)O(6), contains a bifurcated intra-molecular hydrogen bond between the N-H group and one of the O atoms from both the nitro group and the dioxane-4,6-dione moiety. In addition, mol-ecules are linked by a series of inter-molecular C-H?O secondary inter-actions. The dihedral angles between the benzene ring and the nitro group and the conjugated part of the dioxane-4,6-dione moiety are 19.1?(2) and 17.89?(7)°, respectively.

| S-EPMC3089138 | biostudies-literature

2,2-Dimethyl-5-[(3-nitro-anilino)methyl-ene]-1,3-dioxane-4,6-dione.

Project description:The benzene ring of the title compound, C(13)H(12)N(2)O(6), is twisted away from the planes of the amino-methyl-ene unit and the dioxane ring by 30.13?(4) and 35.89?(4)°, respectively. The dioxane ring exhibits a half-boat conformation, in which the C atom between the dioxane O atoms is 0.553?(8)?Å out-of-plane. An intra-molecular N-H?O hydrogen bond stabilizes the conformation of the dioxane ring with the amino-methyl-ene group [the dihedral angle between the mean planes of the dioxane ring and the amino-methyl-ene group is 11.61?(4)°]. In the crystal, a three-dimensional framework is built via weak inter-molecular N-H?O and C-H?O inter-actions.

| S-EPMC2970156 | biostudies-literature

2,2-Dimethyl-5-(2-naphthyl-amino-methyl-ene)-1,3-dioxane-4,6-dione.

Project description:There are two unique mol-ecules in the asymmetric unit of the title compound, C(17)H(15)NO(4), which are linked into chains via inter-molecular N-H?O and C-H?O inter-actions; the chains are linked via weak C-H?O inter-actions, forming a parallel sheet structure. The molecule is approximately planar, with dihedral angles of 19.91?(4) and 11.06?(4)° between the naphthyl ring and the amino-methyl-ene group, and between the amino-methyl-ene unit and the planar part of the dioxane ring, respectively. The dioxane ring adopts a half-boat conformation, with the C atom between the dioxane O atoms 0.595?(8)?Å out of the plane through the remaining atoms. The mol-ecule has an intra-molecular N-H?O hydrogen bond which stabilizes the planar conformation.

| S-EPMC2970245 | biostudies-literature

2,2-Dimethyl-5-(1-naphthyl-amino-methyl-ene)-1,3-dioxane-4,6-dione.

Project description:The benzyl ring of the title compound, C(17)H(15)NO(4), is twisted away from the plane defined by five atoms of the dioxane ring by 34.83 (4)°. The dioxane ring exhibits a half-boat conformation, with the C atom between the dioxane O atoms 0.571 (8) Å out of the plane through the remainder of the ring. An intra-molecular N-H⋯O hydrogen bond may contribute to the stabilization of the planar conformation of the mol-ecule. In the crystal, inversion dimers linked by pairs of C-H⋯O bonds occur.

| S-EPMC2969915 | biostudies-literature

2,2-Dimethyl-5-[(5-methyl-furan-2-yl)methyl-idene]-1,3-dioxane-4,6-dione.

Project description:The asymmetric unit of the title compound, C(12)H(12)O(5), contains two independent mol-ecules. In each, the 1,3-dioxane ring adopts an envelope conformation with the dimethyl-substituted C atom forming the flap. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3051482 | biostudies-literature

2,2-Dimethyl-5-[(pyridin-2-yl-amino)-methyl-idene]-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(12)H(12)N(2)O(4), the dihedral angle between the pyridine and enamine planes is 3.5 (3)°, while the angle between the dioxanedione (seven atoms) and enamine planes is 4.6 (3)°. The dioxane ring approximates an envelope conformation.

| S-EPMC3051715 | biostudies-literature

5,5'-[(2,4-Dichloro-phen-yl)methyl-ene]bis-(2,2-dimethyl-1,3-dioxane-4,6-dione).

Project description:The title compound, C(19)H(18)Cl(2)O(8), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 2,4-dichloro-benzaldehyde in ethanol. The two 1,3-dioxane rings exhibit boat conformations. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?Cl hydrogen bonds, forming chains parallel to the a axis.

| S-EPMC3212288 | biostudies-literature

2,2-Dimethyl-5-{[(4-nitro-phen-yl)amino]-methyl-idene}-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(13)H(12)N(2)O(6), the dihedral angle between the benzene ring and the amino-methyl-ene unit is 5.42?(16)°, while the angle between the amino-methyl-ene unit and the dioxane ring is 3.06?(43)°. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.464?(10)?Å out of the plane. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, a three-dimensional framework is built up via inter-molecular N-H?O hydrogen bonds.

| S-EPMC3051475 | biostudies-literature

5-[(2-Chloro-4-nitro-anilino)methyl-idene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(13)H(11)ClN(2)O(6), the dihedral angles between the benzene ring and the amino-methyl-ene unit and between the amino-methyl-ene group and the dioxane ring are 8.19?(14) and 1.39?(17)°, respectively. The dioxane ring has a half-boat conformation, in which the C atom between the dioxane O atoms is 0.662?(4)Å out of the plane through the remaining ring atoms. Intra-molecular N-H?O and N-H?Cl inter-actions occur.

| S-EPMC3051652 | 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