Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 2-({6-[(1-meth-oxy-2-methyl-1-oxopropan-2-yl)carbamo-yl]pyridin-2-yl}formamido)-2-methyl-propano-ate.

ABSTRACT: In the title compound, C(17)H(23)N(3)O(6), the two meth-oxy-carbonyl C-O-C=O planes are inclined at dihedral angles of 5.3?(4) and 83.9?(4)° with respect to the central pyridine ring. An intra-molecular N-H?O hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked into a chain along the c axis via C-H?O hydrogen bonds.

SUBMITTER: Al-Omar MA

PROVIDER: S-EPMC3344507 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 2-({6-[(1-meth-oxy-2-methyl-1-oxopropan-2-yl)carbamo-yl]pyridin-2-yl}formamido)-2-methyl-propano-ate.

Al-Omar Mohamed A MA Amr Abdel-Galil E AG Ghabbour Hazem A HA Quah Ching Kheng CK Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

In the title compound, C(17)H(23)N(3)O(6), the two meth-oxy-carbonyl C-O-C=O planes are inclined at dihedral angles of 5.3 (4) and 83.9 (4)° with respect to the central pyridine ring. An intra-molecular N-H⋯O hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked into a chain along the c axis via C-H⋯O hydrogen bonds. ...[more]

PMID: 22590269

Similar Datasets

Methyl 2-{6-[(1-meth-oxy-1-oxopropan-2-yl)amino-carbon-yl]pyridine-2-carboxamido}-propano-ate.

Project description:In the title compound, C(15)H(19)N(3)O(6), the amide planes are inclined at dihedral angles of 0.8?(6) and 12.1?(3)° with respect to the central pyridine ring. The mean planes of the corresponding methyl acetate groups form dihedral angles of 41.76?(13) and 86.48?(15)°, respectively with the mean plane of pyridine ring. A pair of weak intra-molecular N-H?N hydrogen bonds generate an S(5)S(5) ring motif in the mol-ecule. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into [001] chains. The chains are cross-linked by C-H?O hydrogen bonds into layers lying parallel to bc plane. The crystal packing also features a C-H?? inter-action.

| S-EPMC3379408 | biostudies-literature

Dicyclo-hexyl-ammonium 3-[(hy-droxy-meth-yl)carbamo-yl]propano-ate.

Project description:The title compound, C(12)H(24)N(+)·C(5)H(8)NO(4) (-), contains one dicyclo-hexyl-ammonium cation and one 3-[(hy-droxy-meth-yl)carbamo-yl]propano-ate anion in the asymmetric unit. In the crystal, the ions are linked by inter-molecular N-H?O and O-H?O hydrogen bonds, forming chains propagating along [100].

| S-EPMC3011642 | biostudies-literature

Ethyl 2-[(N-meth-oxy-N-methyl-carbamo-yl)meth-yl]-1-(phenyl-sulfon-yl)-1H-indole-3-carboxyl-ate.

Project description:In the title compound, C(21)H(22)N(2)O(6)S, the phenyl ring forms a dihedral angle of 83.17?(7)° with the indole ring system. The methyl group of the ester unit is disordered over two positions with site occupancies of 0.635?(6) and 0.365?(6). In the crystal structure, weak intra-molecular C-H?O inter-actions and inter-molecular C-H?O, C-H?N and C-H?? inter-actions are observed.

| S-EPMC2961377 | biostudies-literature

Methyl 2-[4-(4-chloro-benzo-yl)phen-oxy]-2-methyl-propano-ate.

Project description:In the title compound, C(18)H(17)ClO(4), the dihedral angle between the mean planes of the benzene rings is 53.4?(1)°. Weak inter-molecular C-H?O inter-actions are observed.

| S-EPMC3379272 | biostudies-literature

(S)-Methyl 2-benzamido-3-(3,4-dimeth-oxy-phen-yl)propano-ate.

Project description:The dimethoxypbenzene ring in the title compound, C(19)H(21)NO(5), is gauche to the amide group and anti to the ester group. The chirality was confirmed to be S from two-dimensional NMR spectroscopy. In the crystal, N-H?O and C-H?O hydrogen bonds and several short-contact inter-actions (2.07-3.45?Å) create chains parallel to [110]. The phenyl ring is disordered over two orientations in a 0.54?(2):0.46?(2) ratio.

| S-EPMC3254516 | biostudies-literature

Ethyl 2-[4-(4-chloro-benzo-yl)phen-oxy]-2-methyl-propano-ate.

Project description:In the title compound, C(19)H(19)ClO(4), the dihedral angle between the mean planes of the benzene rings is 126.8?(1)°. Weak C-H?O inter-actions are observed.

| S-EPMC3379337 | biostudies-literature

N-(2-Chloro-phen-yl)-1-phenyl-formamido 3-(2-nitro-phen-yl)propano-ate.

Project description:In the title mol-ecule, C(22)H(17)ClN(2)O(5), the nitro-substituted benzene ring makes a dihedral angle of 79.22?(1)° with the benzoyl ring and 53.03?(1)° with the chloro-substituted benzene ring. An intra-molecular C-H?O hydrogen bond occurs. The crystal structure features weak C-H?Cl and C-H?O inter-actions.

| S-EPMC3470253 | biostudies-literature

[6-(Hy-droxy-meth-yl)pyridin-2-yl]methyl ferrocene-1-carboxyl-ate.

Project description:The crystal structure of the title ferrocene derivative, [Fe(C(5)H(5))(C(13)H(12)NO(3))], shows strong inter-molecular O-H?N hydrogen bonds between the alcohol function and the pyridine group of a neighbouring mol-ecule, while the pyridine function forms another hydrogen bond with the alcohol function of another neighbouring mol-ecule, resulting in the formation of chains along the a-axis direction.

| S-EPMC3247539 | biostudies-literature

Ethyl 3-[7-eth-oxy-6-(4-meth-oxy-benzene-sulfonamido)-2H-indazol-2-yl]propano-ate.

Project description:In the title compound, C(21)H(25)N(3)O(6)S, the dihedral angle between the meth-oxy-benzene and indazole rings is 74.96 (5)°. The crystal packing is stabilized by an N-H⋯O hydrogen bond into a two-dimensional network. In addition, C-H⋯π inter-actions and a π-π contact, with a centroid-centroid distance of 3.5333 (6) Å, are observed. The crystal packing is stabilized by N-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC3343913 | biostudies-literature

Crystal stucture of methyl 2-({[2-(meth-oxy-carbon-yl)phen-yl]carbamo-yl}amino)-benzoate.

Project description:In the title compound, C17H16N2O5, the dihedral angles between the central urea [N-C(=O)-N] fragment and its attached benzene rings are 20.20?(14) and 24.24?(13)°; the dihedral angle between the aromatic rings is 42.1?(1)°. The mol-ecular conformation is consolidated by two intra-molecular N-H?O hydrogen bonds, which both generate S(6) rings. In the crystal, inversion dimers linked by pairs of C-H?O inter-actions generate R 2 (2)(14) loops. The dimers are linked by further C-H?O inter-actions into (011) sheets.

| S-EPMC4420073 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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