Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Morpholine-carboxamidine.

ABSTRACT: In the crystal structure of the title compound, C(5)H(11)N(3)O, the C=N and C-N bond lengths in the CN(3) unit are 1.2971?(14), 1.3595?(14) (NH(2)) and 1.3902?(13)?Å, indicating double- and single-bond character, respectively. The N-C-N angles are 115.49?(9)°, 119.68?(10)° and 124.83?(10)°, showing a deviation of the CN(3) plane from an ideal trigonal-planar geometry. The morpholine ring is in a chair conformation. In the crystal, the mol-ecules are linked by N-H?N and N-H?O hydrogen bonds, generating a three-dimensional network.

SUBMITTER: Tiritiris I

PROVIDER: S-EPMC3515223 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Morpholine-carboxamidine.

Tiritiris Ioannis I

Acta crystallographica. Section E, Structure reports online 20121013 Pt 11

In the crystal structure of the title compound, C(5)H(11)N(3)O, the C=N and C-N bond lengths in the CN(3) unit are 1.2971 (14), 1.3595 (14) (NH(2)) and 1.3902 (13) Å, indicating double- and single-bond character, respectively. The N-C-N angles are 115.49 (9)°, 119.68 (10)° and 124.83 (10)°, showing a deviation of the CN(3) plane from an ideal trigonal-planar geometry. The morpholine ring is in a chair conformation. In the crystal, the mol-ecules are linked by N-H⋯N and N-H⋯O hydrogen bonds, gene ...[more]

PMID: 23284443

Similar Datasets

Morpholine-4-carboxamidinium ethyl carbonate.

Project description:The asymmetric unit of the title salt, C5H12N3O(+)·C3H5O3(-), contains two carboxamidinium and two ethyl carbonate ions. In the crystal, the C-N bond lengths in the central CN3 units of the cations range between 1.324?(2) and 1.352?(2)?Å, indicating partial double-bond character. The central C atoms are bonded to the three N atoms in a nearly ideal trigonal-planar geometry and the positive charges are delocalized in the CN3 planes. The morpholine rings are in chair conformations. The C-O bond lengths in both ethyl carbonate ions are characteristic for delocalized double bonds [1.243?(2)-1.251?(2)?Å] and typical single bonds [1.368?(2) and 1.375?(2)?Å]. In the crystal, N-H?O hydrogen bonds between cations and anions generate a two-dimensional network in the ac plane.

| S-EPMC3589013 | biostudies-literature

Crystal structures of the isotypic complexes bis-(morpholine)-gold(I) chloride and bis-(morpholine)-gold(I) bromide.

Project description:The compounds bis-(morpholine-κN)gold(I) chloride, [Au(C4H9NO)2]Cl, 1, and bis-(morpholine-κN)gold(I) bromide, [Au(C4H9NO)2]Br, 2, crystallize isotypically in space group C2/c with Z = 4. The gold atoms, which are axially positioned at the morpholine rings, lie on inversion centres (so that the N-Au-N coordination is exactly linear) and the halide anions on twofold axes. The residues are connected by a classical hydrogen bond N-H⋯halide and by a short gold⋯halide contact to form a layer structure parallel to the bc plane. The morpholine oxygen atom is not involved in classical hydrogen bonding.

| S-EPMC10833401 | biostudies-literature

Potassium morpholine-4-carbodithio-ate monohydrate.

Project description:In the ionic title compound, K(+)·C(5)H(8)NOS(2) (-)·H(2)O, the morpholine ring of the morpholine-4-carbodithio-ate anion has a chair conformation. The potassium cation is coordinated by four S and four O atoms in a bipyramidal reversed geometry. In the crystal, the three components are linked, generating infinite two-dimensional networks that lie parallel to the bc plane. These layers are linked via O-H?S hydrogen bonds, forming a three-dimensional structure.

| S-EPMC3414100 | biostudies-literature

4-(4-Nitro-benz-yl)morpholine.

Project description:In the title compound, C(11)H(14)N(2)O(3), an inter-molecular inter-action between a nitro group O atom and a neighboring benzene ring helps to stabilize the crystal structure [N⋯centroid = 3.933 (2) Å]. No classical hydrogen bonds are observed in the crystal packing.

| S-EPMC3099983 | biostudies-literature

Morpholine-4-nitro-phenol (1/2).

Project description:In the title adduct, 2C6H5NO3·C4H9NO, the morpholine ring adopts a chair conformation. The dihedral angle between the two nitro-phenol rings is 69.47 (9)°. The nitro groups attached to the benzene rings make dihedral angles of 3.37 (16) and 3.14 (13)° in the two mol-ecules of nitro-phenol. The crystal structure is stabilized by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds and further consolidated by C-H⋯O inter-actions, resulting in a three-dimensional network.

| S-EPMC3588998 | biostudies-literature

N-Phenyl-morpholine-4-carboxamide.

Project description:In the title compound, C(11)H(14)N(2)O(2), the urea-type NC=ON moiety [planar to within 0.0002?(13)?Å] is inclined to the phenyl ring by 42.88?(8)?Å, and the morpholine ring has a chair conformation. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into infinite chains in [001].

| S-EPMC3050126 | biostudies-other

4-(4-Nitro-phen-yl)morpholine.

Project description:Aromatic ?-? stacking inter-actions stabilize the crystal structure of the title compound, C(10)H(12)N(2)O(3), the perpendic-ular distance between parallel planes being 3.7721?(8)?Å. The morpholine ring adopts a chair comformation.

| S-EPMC3344165 | biostudies-other

2-(4-Morpholine-carbothio-ylsulfan-yl)-acetic acid.

Project description:The asymmetric unit of the title compound, C(7)H(11)NO(3)S(2), contains two independent mol-ecules with similar mol-ecular structures. The morpholine ring adopts a chair conformation, and the C(2)N-C(=S)-S fragment is planar in the two independent mol-ecules (r.m.s. deviations = 0.01 and 0.02?Å). The two mol-ecules are disposed about a false center of inversion and are held together by a pair of O-H?O hydrogen bonds. The crystal studied was a racemic twin; the minor twin component refined to 17%.

| S-EPMC2979280 | biostudies-literature

Morpholin-4-ium morpholine-4-carbo-dithio-ate.

Project description:The title compound, C(4)H(10)NO(+)·C(5)H(8)NOS(2) (-), is built up of a morpholinium cation and a dithio-carbamate anion. In the crystal, two structurally independent formula units are linked via N-H?S hydrogen bonds, forming an inversion dimer, with graph-set motif R(4) (4)(12).

| S-EPMC3213463 | biostudies-literature

Crystal structure of 4-(pyrazin-2-yl)morpholine.

Project description:The mol-ecular structure of the title compound, C8H11N3O, is nearly planar despite the chair conformation of the morpholine moiety. In the crystal, the mol-ecules form sheets parallel to the b axis, which are supported by non-classical hydrogen-bonding inter-actions between C-H functionalities and the O atom of morpholine and the 4-N atom of pyrazine, respectively. The title compound crystallizes in the monoclinic space group P21/c with four mol-ecules in the unit cell.

| S-EPMC5956323 | 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