Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,6-Dimethyl-N-(2-methyl-phen-yl)-1,3-dioxan-4-amine.

ABSTRACT: In the title compound, C13H19NO2, the dioxane ring adopts a chair conformation and its mean plane makes a dihedral angle of 45.36?(8)° with the phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers with R (2) 2(12) ring motifs. These dimers are consolidated by pairs of C-H?O hydrogen bonds with R (2) 2(8) ring motifs.

SUBMITTER: Fatima Z

PROVIDER: S-EPMC3790422 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,6-Dimethyl-N-(2-methyl-phen-yl)-1,3-dioxan-4-amine.

Fatima Zeenat Z Rambabu Gottimukkala G Reddy Bandapalli Palakshi BP Vijayakumar Vijayaparthasarathi V Velmurugan Devadasan D

Acta crystallographica. Section E, Structure reports online 20130918 Pt 10

In the title compound, C13H19NO2, the dioxane ring adopts a chair conformation and its mean plane makes a dihedral angle of 45.36 (8)° with the phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with R (2) 2(12) ring motifs. These dimers are consolidated by pairs of C-H⋯O hydrogen bonds with R (2) 2(8) ring motifs. ...[more]

PMID: 24098241

Similar Datasets

N-(4-Fluoro-phen-yl)-2,6-dimethyl-1,3-dioxan-4-amine.

Project description:In the title compound, C12H16FNO2, the dioxane ring adopts a chair conformation with the methyl substituents and the C-N bond in equatorial orientations. Its mean plane subtends a dihedral angle of 40.17?(6)° with the benzene ring. In the crystal, weak N-H?F hydrogen bonds link the mol-ecules into C(7) chains propagating in [100].

| S-EPMC3884279 | biostudies-literature

N-(2-Fluoro-phen-yl)-2,6-dimethyl-1,3-dioxan-4-amine.

Project description:In the title compound, C12H16FNO3, the dioxane ring adopts a chair conformation with the methyl groups and amine N atom in equatorial positions. The best plane through the dioxane ring makes a dihedral angle of 43.16?(8)° with the phenyl ring. In the crystal, pairs of C-H?O hydrogen bonds link the mol-ecules into centrosymmetric R 2 (2)(8) dimers, which are linked into [100] chains by further C-H?O hydrogen bonds. The N-H group does not participate in hydrogen bonding.

| S-EPMC3790394 | biostudies-literature

N-(4-Meth-oxy-phen-yl)-2,6-dimethyl-1,3-dioxan-4-amine.

Project description:In the title compound, C13H19NO3, the dioxane ring adopts a chair conformation. Its mean plane is inclined to the 4-meth-oxy-phenyl ring by 70.34?(9)°. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers with an R (2) 2(16) ring motif. The dimers are linked via C-H?? inter-actions, forming two-dimensional networks lying parallel to the ac plane.

| S-EPMC3884457 | biostudies-literature

N-(4-Bromo-phen-yl)-2,6-dimethyl-1,3-dioxan-4-amine.

Project description:In the title compound, C12H16BrNO2, the dioxane ring adopts a chair conformation and its mean plane makes a dihedral angle of 60.63?(12)° with the 4-bromo-phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. These dimers are consolidated by pairs of C-H?O hydrogen bonds with an R 2 (2)(16) ring motif. Adjacent dimers are connected via C-H?O hydrogen bonds, forming infinite chains propagating along the c-axis direction.

| S-EPMC3790436 | biostudies-other

2-{4-[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yl-idene)methyl-amino]phen-yl}acetonitrile.

Project description:The title compound, C(15)H(14)N(2)O(4), is approximately planar, with a dihedral angle of 6.48?(4)° between the amino-methyl-ene unit and the planar five-atom part of the dioxane ring, and a dihedral angle of 2.40?(4)° between amino-methyl-ene unit and the phenyl-ene ring. The dioxane ring is envelope shaped, with the dimethyl-substituted C atom that represents the flap 0.535?(8)?Å out of the plane. The mol-ecule has an intra-molecular N-H?O hydrogen bond.

| S-EPMC2969579 | biostudies-literature

Tris{2-[(2,6-dimethyl-phen-yl)amino]-eth-yl}amine.

Project description:The title compound, C(30)H(42)N(4), is an aryl-ated tris-(amino-eth-yl)amine derivative which was obtained by reducing the corresponding tris-amide with AlH(3). The asymmetric unit consists of one third of a C(3v)-symmetric mol-ecule with the tertiary N atom lying on a crystallographic threefold axis.

| S-EPMC3239057 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)-4-methyl-benzamide.

Project description:In the mol-ecular structure of the title compound, C(16)H(17)NO, the two aromatic rings are close to orthogonal to each other [dihedral angle 78.8?(1)°], while the central -NH-C(=O)- amide core is nearly coplanar with the benzoyl ring, forming a dihedral angle of 3.5?(2)°. Inter-molecular N-H?O hydrogen bonds in the crystal structure link the mol-ecules into infinite chains running along the c axis of the crystal, and a C-H?O interaction also occurs.

| S-EPMC2969511 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)-2-methyl-acetamide.

Project description:The structure of the title compound (26DMPMA), C(11)H(15)NO, is closely related to the side-chain unsubstituted N-(2,6-dimethyl-phen-yl)acetamide and side-chain substituted N-(2,6-dimethyl-phen-yl)-2,2,2-trimethyl-acetamide and 2-chloro-N-(2,6-dimethyl-phen-yl)acetamide, with slightly different bond parameters. The mol-ecules in 26DMPMA are linked into chains through N-H⋯O hydrogen bonding.

| S-EPMC2960394 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)-2-methyl-benzamide.

Project description:In the title mol-ecule, C(16)H(17)NO, the N-H and C=O groups are in the anti-periplanar conformation that has been observed in related compounds. Furthermore, the conformation of the C=O group with respect to the methyl substituent in the 2-methyl-phenyl ring is syn, as has also been observed in related structures. The amide group makes dihedral angles of 50.3 (3) and 64.6 (3)° with the 2-methyl-phenyl and 2,6-dimethyl-phenyl rings, respectively, while the angle between the planes of the two rings is 14.26 (7)°. The mol-ecules are packed into chains via N-H⋯O hydrogen bonds. An intramolecular C-H⋯O hydrogen bond is also observed.

| S-EPMC2962217 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(15)H(17)NO(2)S, the mol-ecule is bent at the S atom, the C-SO(2)-NH-C torsion angle being 88.0?(2)°. The dihedral angle between the two aromatic rings is 49.8?(1)°. In the crystal, mol-ecules are linked into zigzag chains parallel to the a axis via N-H?O hydrogen bonds.

| S-EPMC2979196 | 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