Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2-Dimethyl-1,3-benzodioxol-4-yl N-methyl-carbamate.

ABSTRACT: In the title compound, C(11)H(13)NO(4), the two fused rings are almost coplanar, making a dihedral angle of 3.02?(8)°. In the crystal, chains are formed parallel to [010] through N-H?O hydrogen bonds between the amine and carbonyl groups.

SUBMITTER: Xia CC

PROVIDER: S-EPMC2983127 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2-Dimethyl-1,3-benzodioxol-4-yl N-methyl-carbamate.

Xia Cheng-Cai CC

Acta crystallographica. Section E, Structure reports online 20100918 Pt 10

In the title compound, C(11)H(13)NO(4), the two fused rings are almost coplanar, making a dihedral angle of 3.02 (8)°. In the crystal, chains are formed parallel to [010] through N-H⋯O hydrogen bonds between the amine and carbonyl groups. ...[more]

PMID: 21587562

Similar Datasets

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-carboxy-propanoate.

Project description:In the title compound, C(10)H(16)O(6), the five-membered ring has an envelope conformation. The packing involves hydrogen-bonded carboxylic acid inversion dimers and three C-H⋯O inter-actions.

| S-EPMC2969742 | biostudies-literature

N-[(E)-1,3-Benzodioxol-5-yl-methyl-idene]-3,4-dimethyl-1,2-oxazol-5-amine.

Project description:In the title compound, C(13)H(12)N(2)O(3), the dihedral angle between the aromatic rings is 7.94 (12)°. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R(2) (2)(6) loops. Weak π-π [centroid-centroid separations = 3.7480 (13) and 3.9047 (13) Å] and C-H⋯π inter-actions help to consolidate the packing.

| S-EPMC3200615 | biostudies-literature

2,2'-Dimethyl-1,1'-[2,2-bis-(bromo-methyl)propane-1,3-di-yl]dibenzimidazole hemihydrate.

Project description:The title compound, C(21)H(22)Br(2)N(4)·0.5H(2)O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].

| S-EPMC3297910 | biostudies-literature

{2,2'-[(2,2-Dimethyl-propane-1,3-di-yl)-bis-(nitrilo-methyl-idyne)]-diphenolato}-dioxidomolybdenum(VI).

Project description:In the structure of the title compound, [Mo(C(19)H(20)N(2)O(2))O(2)], the Mo atom exhibits oxidation state +VI and is surrounded by two O atoms and the tetra-dentate Schiff base ligand 2,2'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]diphenolate in a distorted octa-hedral configuration. An intra-molecular C-H⋯O hydrogen bond between a methyl-ene group and one O atom of the O=Mo(VI)=O unit, as well as additional inter-molecular hydrogen bonds between neighboring mol-ecules, lead to a weakly bonded inversion-symmetric dimeric structure.

| S-EPMC2961957 | 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

1,2-Bis[(1,3-benzodioxol-5-yl)methyl-idene]hydrazine.

Project description:The complete mol-ecule of the title compound, C(16)H(12)N(2)O(4), is generated by the application of a centre of inversion. The (1,3-benzodioxol-5-yl)methyl-idene fused-ring system is approximately planar (r.m.s. deviation = 0.020?Å) and is essentially coplanar with the central hydrazine group [dihedral angle = 5.08?(9)°]. Weak ?-? inter-molecular inter-actions are observed [centroid-centroid distance = 3.8553?(8)?Å], providing some packing stability.

| S-EPMC3254287 | biostudies-literature

N-[(E)-1,3-Benzodioxol-5-yl-methyl-idene]-4-methyl-aniline.

Project description:The two symmetry-independent mol-ecules in the asymmetric unit of the title compound, C(15)H(13)NO(2), differ in conformation, with the virtually planar 4-methyl-aniline (r.m.s. deviations of 0.0511 and 0.0082?Å) and piperonal groups (r.m.s. deviations of 0.0241 and 0.0486?Å) forming dihedral angles of 19.40?(5) and 42.90?(6)°. In the crystal, mol-ecules are linked by C-H?O and C-H?? inter-actions. The H atoms of the two methyl groups are disordered over two sets of sites of equal occupancy.

| S-EPMC3011519 | biostudies-literature

{2,2'-[(2,2-Dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]diphenolato}palladium(II) ethanol hemisolvate.

Project description:The asymmetric unit of the title complex, [Pd(C(19)H(20)N(2)O(2))]·0.5C(2)H(5)OH, contains two mol-ecules of a Pd(II) complex of a Schiff base ligand with an N(2)O(2) donor set and one ethanol mol-ecule. The Pd(II) centers are in distorted square-planar geometries with the N(2)O(2) donor atoms of the tetra-dentate Schiff base dianions. The ethanol mol-ecule takes part in an O-H⋯O hydrogen bond. In the crystal structure, mol-ecules are stacked approximately along the b-axis direction. The O atom and three H atoms of the solvent molecule are disordered over two positions; the site occupancy factors are ca 0.8 and 0.2.

| S-EPMC2961822 | biostudies-literature

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

Project description: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.

| S-EPMC2968387 | 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

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