Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-[(2-Methyl-8-quinol-yl)amino-methyl-ene]naphthalen-2(1H)-one.

ABSTRACT: The mol-ecule of the title compound, C(21)H(16)N(2)O, exists in the keto form and the C=O and N-H bonds are mutually cis in the crystal structure, although an enol form would be possible through tautomerism. The dihedral angle between the quinoline and the naphthalene systems is 22.04?(2)°. A bifurcated intramolecular N-H?(O,N) hydrogen bond is present.

SUBMITTER: Takano K

PROVIDER: S-EPMC2971819 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1-[(2-Methyl-8-quinol-yl)amino-methyl-ene]naphthalen-2(1H)-one.

Takano Kentaro K Takahashi Masayuki M Fukushima Takaaki T Shibahara Takashi T

Acta crystallographica. Section E, Structure reports online 20091121 Pt 12

The mol-ecule of the title compound, C(21)H(16)N(2)O, exists in the keto form and the C=O and N-H bonds are mutually cis in the crystal structure, although an enol form would be possible through tautomerism. The dihedral angle between the quinoline and the naphthalene systems is 22.04 (2)°. A bifurcated intramolecular N-H⋯(O,N) hydrogen bond is present. ...[more]

PMID: 21578850

Similar Datasets

1-[(E)-(2-Phenoxy-anilino)methyl-ene]naphthalen-2(1H)-one.

Project description:The mol-ecule of the title compound, C(23)H(17)NO(2), a Schiff base derived from 2-hydr-oxy-1-naphthaldehyde, crystallizes in the keto-amine tautomeric form. The dihedral angle between the aniline and hydroxy-benzene rings is 77.41?(17)°, whereas the planes of the naphthaldehyde and fused aniline benzene rings are nearly coplanar, making a dihedral angle of 8.29?(15)°. Intra-molecular N-H?O hydrogen bonding, a characteristic hydrogen bond for Schiff bases, helps to stabilize the mol-ecular structure. Weak inter-molecular C-H?? inter-actions are present in the crystal structure.

| S-EPMC2979135 | biostudies-literature

1-{(Z)-[(2,3-Dihy-droxy-prop-yl)amino]-methyl-idene}naphthalen-2(1H)-one.

Project description:In the title mol-ecule, C14H15NO3, the ring system is essentially planar, with an r.m.s. deviation of 0.003?Å. The atoms of the ethane-1,2-diol group were refined as disordered over two sets of sites in a ratio of 0.815?(3):0.185?(3). The mol-ecular conformation is stabilized in part by an intra-molecular N-H?O hydrogen bond, which forms an S(6) ring. In the crystal, mol-ecules are connected by N-H?O and O-H?O hydrogen bonds, forming a two-dimensional network parallel to (100). The network also features weak C-H?O hydrogen bonds. Weak C-H?? inter-actions also observed.

| S-EPMC3588305 | biostudies-literature

1-[(4-{[(2-Oxo-1,2-dihydro-naphthalen-1-yl-idene)meth-yl]amino}-anilino)methyl-idene]naphthalen-2(1H)-one dihydrate.

Project description:The title compound, C(28)H(20)N(2)O(2)·2H(2)O, comprises a Schiff base mol-ecule with an imposed inversion centre in the middle of p-phenyl-enediamine unit and water mol-ecules of crystallization. In the structure, the Schiff base mol-ecule is present as the keto-amino tautomer with a strong intra-molecular N-H?O hydrogen bond. The Schiff base mol-ecules and water mol-ecules of crystallization create infinite [010] columns through O-H?O hydrogen bonds. Inter-molecular attractions within columns are through additional ?-? inter-actions [centroid-centroid distance = 3.352?(1)?Å] between parallel Schiff base mol-ecules. The columns are joined into infinite (011) layers through weak C-H?O hydrogen bonds. The layers pack in an assembly by van der Waals attractions, only being effective between bordering non-polar naphthalene ring systems.

| S-EPMC3247366 | biostudies-literature

4-[(Z)-Allyl-amino-(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:The title compound, C(20)H(19)N(3)O, exists in a keto-enamine tautomeric form. The pyrazolone ring makes dihedral angles of 20.52?(10) and 77.73?(5)° with the two phenyl rings and an intra-molecular N-H?O hydrogen bond occurs. A weak inter-molecular C-H?O hydrogen bond is observed in the crystal structure. The allyl group is disordered over two positions, with site-occupancy factors of 0.533?(5) and 0.467?(5).

| S-EPMC2979603 | biostudies-literature

1-[(2-Chloro-7-methyl-3-quinol-yl)meth-yl]pyridin-2(1H)-one.

Project description:In the title compound, C(16)H(13)ClN(2)O, the quinoline ring system is essentially planar, with a maximum deviation of 0.021?(2)?Å. The pyridone ring is oriented at a dihedral angle of 85.93?(6)° with respect to the quinoline ring system. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules along the b axis. Weak ?-? stacking inter-actions [centroid-centroid distances = 3.7218?(9) and 3.6083?(9)?Å] are also observed.

| S-EPMC2984016 | biostudies-literature

4-{(Z)-(sec-Butyl-amino)(phen-yl)methyl-ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the title compound, C(21)H(23)N(3)O, the dihedral angles formed by the pyrazolone ring with two phenyl rings are 10.38?(8) and 76.94?(6)°. The sec-butyl-amino group is disordered over two positions, with refined site-occupancy factors of 0.730?(4) and 0.270?(4). The compound could potentially be ligand stabilized in the solid state in a keto-enamine tautomeric form. The amine functionality is involved in an intra-molecular N-H?O hydrogen bond, while weak inter-molecular C-H?O and C-H?N hydrogen bonds participate in the formation of the crystal structure.

| S-EPMC2970147 | biostudies-literature

(4Z)-4-[(Cyclo-propyl-amino)(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the title compound, C(20)H(19)N(3)O, the dihedral angles formed by the pyrazolone ring with the two phenyl rings are 64.27?(6) and 17.00?(6)°. The mol-ecular structure is stabilized by intra-molecular N-H?O and C-H?O hydrogen bonds. In the crystal, the mol-ecules are linked into chains along the b axis by inter-molecular C-H?O hydrogen bonds.

| S-EPMC2979282 | biostudies-literature

4-[(Z)-(2-Fur-yl)(2-naphthyl-amino)methyl-ene)]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:The title compound, C(25)H(19)N(3)O(2), crystallizes as discrete mol-ecules which are well ordered through one intra-molecular N-H?O hydrogen bond. Structural analysis indicates that the mol-ecules exist as the amine-one form.

| S-EPMC2977223 | biostudies-literature

(4Z)-4-[(4-Methoxy-benzyl-amino)(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the title compound, C(25)H(23)N(3)O(2), the dihedral angles formed by the pyrazolone ring with the three aromatic rings are 14.59?(7), 79.35?(5) and 87.10?(6)°. Three intra-molecular C-H?O, C-H?N and N-H?O hydrogen-bond inter-actions are present. The crystal structure is stabilized by two weak inter-molecular C-H?O and C-H?N hydrogen-bond inter-actions.

| S-EPMC2971322 | biostudies-literature

Diethyl 2-[(1-methyl-1H-pyrrol-2-yl)methyl-ene-amino]-5-(2-thienylmethyl-ene-amino)thio-phene-3,4-dicarboxyl-ate.

Project description:Both imine bonds of the title compound, C(21)H(21)N(3)O(4)S(2), were found to be in the E configuration. The terminal pyrrole and thio-phene rings are twisted by 2.5 (3) and 2.3 (2)°, respectively, from the mean plane of the central thio-phene to which they are attached. The structure is disordered by exchange of the terminal heterocyclic rings; the site occupancy factors are ca 0.8 and 0.2. The crystal packing involves some π-π stacking [3.449 (4) Å between pyrrole and terminal thio-phene rings].

| S-EPMC2961309 | 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