Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-[(2-Hy-droxy-phen-yl)(pyrrolidin-1-yl)-meth-yl]naphthalen-2-ol N,N-dimethyl-formamide monosolvate.

ABSTRACT: The title compound, C(21)H(21)NO(2)·C(3)H(7)NO, was synthesized by solvent-free one-pot three-component reaction of naphthalen-2-ol, 2-hy-droxy-benzaldehyde and pyrrolidine. The dihedral angle between the naphthalene ring system and the benzene ring is 77.74 (6)°. The pyrrolidine ring assumes an envelope conformation. An intra-molecular O-H⋯N and an inter-molecular O-H⋯O hydrogen bond are observed.

SUBMITTER: Wang WX

PROVIDER: S-EPMC3297932 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Bis{2-[(2-hy-droxy-2-methyl-prop-yl)imino-meth-yl]-4-nitro-phenolato}nickel(II) dimethyl-formamide monosolvate.

Project description:In the title compound, [Ni(C(11)H(13)N(2)O(4))(2)]·C(3)H(7)NO, the Ni(II) ion is octa-hedrally coordinated in an N(2)O(4) environment by two identical Schiff base ligands. The Ni-O bond lengths range from 2.004 (2) to 2.106 (2) Å, while the Ni-N bond lengths are 2.038 (2) and 2.0465 (19) Å. The cis bond angles range from 78.64 (8) to 97.30 (8)°, with the former being due to the small bite of the amino-alcohol ligand, while the trans bond angles range from 167.86 (8) to 171.23 (8)°. One of the alcohol H atoms forms a hydrogen bond with the dimethyl-formamide (DMF) solvent mol-ecule, while the other links mol-ecules into chains along the b axis through inter-molecular O-H⋯O hydrogen bonds. There are bifurcated C-H⋯O inter-actions involving one of the nitro groups between parallel stacks of mol-ecules in the b-axis direction.

| S-EPMC3200578 | biostudies-literature

(2E)-2-[(2-Hy-droxy-4-meth-oxy-phen-yl)(phen-yl)methyl-idene]-N-phenyl-hydrazinecarboxamide dimethyl-formamide monosolvate.

Project description:The title compound, C(21)H(19)N(3)O(3)·C(3)H(7)NO, adopts an E conformation with respect to the azomethine bond and crystallizes in the amide form. The dihedral angle between the rings lined to the C=N bond is 88.60 (12)°. The dimethyl-formamide solvent mol-ecule is disordered over two orientations with site occupancies of 0.684 (3) and 0.316 (3). The two N atoms of the hydrazinecarboxamide group are involved in inter-molecular N-H⋯O hydrogen bonds in which the dimethyl-formamide O atom acts as acceptor. The structure also features π-π inter-actions, with a centroid-centroid distance of 3.6561 (13) Å. Classical and non-classical intra-molecular O-H⋯N and C-H⋯O hydrogen bonds are also present.

| S-EPMC3344624 | biostudies-literature

1-[(Pyrrolidin-1-yl)(p-tol-yl)meth-yl]naphthalen-2-ol.

Project description:In the title compound, C(22)H(23)NO, the dihedral angle between the naphthyl ring system and the benzene ring is 73.32?(6)°. An intra-molecular O-H?N hydrogen bond stabilizes the mol-ecular conformation. In the crystal structure, mol-ecules are linked by C-H?? inter-actions, resulting in zigzag chains parallel to the [10] direction.

| S-EPMC2959236 | biostudies-literature

1-[(Pyridin-3-yl)(pyrrolidin-1-yl)meth-yl]naphthalen-2-ol.

Project description:The title compound, C(20)H(20)N(2)O, was synthesized by a solvent-free one-pot three-component domino reaction of naph-tha-len-2-ol, nicotinaldehyde and pyrrolidine. The dihedral angle between the naphthalene ring system and the pyridine ring is 74.22 (6)°. The pyrrolidine ring assumes an envelope conformation with the N atom as the flap. An intra-molecular O-H⋯N hydrogen bond stabilizes the mol-ecular conformation.

| S-EPMC3435644 | biostudies-literature

1,5-Bis-[1-(2-hy-droxy-phen-yl)ethyl-idene]carbonohydrazide dimethyl-formamide monosolvate.

Project description:In the title compound, C(17)H(18)N(4)O(3)·C(3)H(7)NO, the main disubstituted urea and solvate mol-ecules are linked by pairs of N-H⋯O hydrogen bonds. In the main mol-ecules, the benzene rings form a dihedral angle of 15.59 (13)° a;nd two intra-molecular O-H⋯N hydrogen bonds influence the mol-ecular conformation. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the hydrogen-bonded pairs into chains along the b axis. The chains associate via C-H⋯π inter-actions.

| S-EPMC2983342 | biostudies-literature

1-[(Dimethyl-amino)(phen-yl)meth-yl]naphthalen-2-ol.

Project description:In the title compound, C(19)H(19)NO, the dihedral angle between the naphthyl ring system and the phenyl ring is 79.83?(6)°. An intra-molecular O-H?N hydrogen bond, together with van der Waals inter-actions, stabilizes the mol-ecular conformation.

| S-EPMC2959287 | biostudies-literature

2-(Hy-droxy-meth-yl)pyridin-3-ol.

Project description:In the crystal structure of the title compound, C(6)H(7)NO(2), the mol-ecules are are linked by inter-molecular O-H?N and O-H?O hydrogen bonds; ?-? stacking is observed between parallel pyridine rings of adjacent mol-ecules [centroid-to-centroid distance = 3.7649?(12)?Å].

| S-EPMC3295493 | biostudies-literature

(2-Hy-droxy-7-meth-oxy-naphthalen-1-yl)(phen-yl)methanone.

Project description:In the mol-ecule of the title compound, C(18)H(14)O(3), there is an intra-molecular O-H?O=C hydrogen bond between the carbonyl and hy-droxy groups on the naphthalene ring system. The angles between the C=O bond vector and the least-squares planes of the naphthalene ring system and the phenyl ring are 30.58?(6) and 42.82?(7)°, respectively, while the dihedral angle between the naphthalene ring system and the phenyl ring is 58.65?(5)°. In the crystal, mol-ecules are connected by pairs of inter-molecular O-H?O=C hydrogen bonds, forming centrosymmetric dimers.

| S-EPMC2983170 | biostudies-literature

4-[(2-Hy-droxy-naphthalen-1-yl)(morpholin-4-yl)meth-yl]benzonitrile.

Project description:The title compound, C(22)H(20)N(2)O(2), was synthesized via a multicomponent reaction using naphthalen-2-ol, morpholine and 4-formyl-benzonitrile. The dihedral angle between the naphthalene ring system and the benzene ring is 81.25 (10)°. The morpholine ring adopts a chair conformation. The mol-ecular conformation is stabilized by intra-molecular O-H⋯N and C-H⋯O hydrogen bonds. In the crystal, inter-molecular C-H⋯N hydrogen bonds link mol-ecules into helical chains running parallel to the c axis.

| S-EPMC3239108 | biostudies-literature

2-{[(2-Hy-droxy-3,5-dimethyl-benz-yl)(meth-yl)amino]-meth-yl}-4,6-dimethyl-phenol.

Project description:In the title compound, C(19)H(25)NO(2), the dihedral angle between the benzene rings is 53.15?(8)°. One of the -OH groups forms an intra-molecular O-H?N link, generating an S(6) ring. The other -OH group forms an inter-molecular O-H?N hydrogen bond in the crystal, generating centrosymmetric R(2) (2)(20) loops.

| S-EPMC3379400 | 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