Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tert-Butyl 6-acetamido-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate.

ABSTRACT: The title mol-ecule, C(15)H(20)N(2)O(4), contains a benzene ring fused to an oxazine ring and one tert-but-oxy-carbonyl group bound to the N atom. An intra-molecular C-H?O inter-action occurs. In the crystal, mol-ecules are linked through inter-molecular N-H?O and C-H?O hydrogen bonds.

SUBMITTER: Gu XB

PROVIDER: S-EPMC2983301 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

tert-Butyl 6-acetamido-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate.

Gu Xiao-Bo XB

Acta crystallographica. Section E, Structure reports online 20100925 Pt 10

The title mol-ecule, C(15)H(20)N(2)O(4), contains a benzene ring fused to an oxazine ring and one tert-but-oxy-carbonyl group bound to the N atom. An intra-molecular C-H⋯O inter-action occurs. In the crystal, mol-ecules are linked through inter-molecular N-H⋯O and C-H⋯O hydrogen bonds. ...[more]

PMID: 21587577

Similar Datasets

tert-Butyl 6-amino-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate.

Project description:The title mol-ecule, C(13)H(18)N(2)O(3), contains a benzene ring fused to an oxazine ring and one tert-but-oxy-carbonyl group bound to the N atom of the oxazine ring. A weak intra-molecular C-H?O inter-action occurs. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds stack the mol-ecules down the b axis. Weak C-H?N contacts connect the stacks, generating a three-dimensional network.

| S-EPMC3011429 | biostudies-literature

tert-Butyl 4-isopropyl-2-oxo-6-phenyl-3,4-dihydro-2H-pyran-3-carboxyl-ate.

Project description:In the title compound, C(19)H(24)O(4), the six-membered lactone ring adopts an envelope conformation with the tert-butoxy-carbonyl and isopropyl substituents in axial positions, and the phenyl group in an equatorial position. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2979271 | biostudies-literature

tert-Butyl 4-(3,4-dichloro-anilino)piperidine-1-carboxyl-ate.

Project description:In the title compound, C(16)H(22)Cl(2)N(2)O(2), the substituted piperidine ring adopts a chair conformation with both substituents in equatorial positions. In the crystal, N-H?O and C-H?O hydrogen bonds connect mol-ecules into ribbons along the a-axis direction.

| S-EPMC3569265 | biostudies-literature

tert-Butyl 3-amino-2-methyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-carboxyl-ate.

Project description:In the mol-ecule of the title compound, C(12)H(20)N(4)O(2), the dihydro-piperidine ring assumes a half-chair conformation. In the crystal, cllassical N-H?O and N-H?N inter-molecular hydrogen bonds link mol-ecules into double chains along the a axis.

| S-EPMC2979268 | biostudies-literature

tert-Butyl 2-sulfanylidene-2,3-dihydro-1H-imidazole-1-carboxyl-ate.

Project description:In the title mol-ecule, C(8)H(12)N(2)O(2)S, the imidazole ring forms a dihedral angle of 5.9 (2)° with the mean plane of the carboxyl-ate group. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers.

| S-EPMC3394004 | biostudies-literature

tert-Butyl imidazole-1-carboxyl-ate.

Project description:In the title compound, C(8)H(12)N(2)O(2), mol-ecules are inter-connected by weak C-H?O contacts with H?O distances of 2.30?Å, resulting in the formation of chains along [100]. According to graph-set analysis, the unitary descriptor of these chains is C(5). In addition, there are ?-? stacking inter-actions between pyrazole rings (centroid distance = 3.878?Å and ring plane distance = 3.26?Å).

| S-EPMC2968161 | biostudies-literature

3,3'-Ethyl-enebis(3,4-dihydro-6-chloro-2H-1,3-benzoxazine).

Project description:The asymmetric unit of the title compound, C(18)H(18)Cl(2)N(2)O(2), contains one half of an independent mol-ecule, the other half being generated via a centre of inversion at the mol-ecular centroid. In the crystal structure, mol-ecular chains are formed through non-classical C-H? O hydrogen bonds between an axial H atom of the oxazine ring and the O atom of a neighbouring mol-ecule.

| S-EPMC2979041 | biostudies-literature

3,3'-(Ethane-1,2-di-yl)bis-(3,4-dihydro-2H-1,3-benzoxazine).

Project description:The title compound, C(18)H(20)N(2)O(2), was prepared by Mannich-type reaction of phenol, ethane-1,2-diamine and formaldehyde. The heterocyclic rings adopt half-chair conformations. The acyclic methyl-ene groups attached to the N atoms are in an axial position. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into dimers. These dimers are further connected via C-H?? contacts.

| S-EPMC3254492 | biostudies-literature

(2E)-4-tert-Butyl-2-(4-meth-oxy-benzyl-idene)-3,4-dihydro-naphthalen-1(2H)-one.

Project description:In the title compound C(22)H(24)O(2), the exocyclic C=C double bond is in an E configuration and the tert-butyl group is in an axial position on the cyclo-hexa-none ring. The cyclo-hexa-none ring in the dihydro-naphthalene fused-ring system adopts a half-chair conformation in both independent two mol-ecules in the asymetric unit. The benzene ring system is oriented angles of 43.97?(12) and 39.24?(12)° with respect to the naphthyl ring system in the two independent mol-ecules. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3151781 | biostudies-literature

tert-Butyl 6-bromo-1,4-dimethyl-9H-carbazole-9-carboxyl-ate.

Project description:The title compound, C(19)H(20)BrNO(2), consists of a carbazole skeleton with methyl groups at positions 1 and 4, a protecting group located at the N atom and a Br atom at position 6. The pyrrole ring is oriented at dihedral angles of 1.27 (7) and 4.86 (7)° with respect to the adjacent benzene rings. The dihedral angle between the benzene rings is 5.11?(7). The crystal structure is determined mainly by intra-molecular C-H?O and inter-molecular ?-? inter-actions. ?-stacking between adjacent molecules forms columns with a parallel arrangement of the carbazole ring systems. The presence of the tert-but-oxy-carbonyl group on the carbazole N atom and the intra-molecular hydrogen bond induce a particular conformation of the exocyclic N-C bond within the mol-ecule.

| S-EPMC3007274 | biostudies-other

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