Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-[(2-Hydr-oxy-1-naphthyl)(3-nitro-phenyl)meth-yl]acetamide.

ABSTRACT: The title compound, C(19)H(16)N(2)O(4), is of inter-est as a precursor to biologically active substituted quinolines and related compounds. The dihedral angle between the naphthalene ring system and the benzene ring is 81.9?(1)°. The crystal structure is stabilized by N-H?O inter-molecular hydrogen bonds, linking the mol-ecules into pairs around a center of symmetry. The crystal structure is further stabilized by inter-molecular O-H?O hydrogen bonds, which link the mol-ecules into chains running along a axis. An intra-molecular C-H?O short contact is also present.

SUBMITTER: Nizammohideen M

PROVIDER: S-EPMC2968788 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Diethyl [hydr-oxy(2-nitro-phen-yl)-meth-yl]phospho-nate.

Project description:In the title mol-ecule, C(11)H(16)NO(6)P, the nitro group is twisted out of the mean plane of the benzene ring at 29.91?(3)°. The two ethyl groups are disordered between two orientations in the ratios 0.784?(7)/0.216?(7) and 0.733?(6)/0.267?(6). Inter-molecular O-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2915213 | biostudies-literature

Dimethyl [hydr-oxy(2-nitro-phen-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(9)H(12)NO(6)P, intra-molecular C-H?O hydrogen bonds form five- and six-membered rings. In the crystal, inversion dimers lined by pairs of C-H?O hydrogen bonds occur with ring motifs R(2) (2)(10). The O atom of the hydr-oxy group behaves as an accepter and the benzene ring as donor. Adjacent dimers are connected through O-H?O links.

| S-EPMC2968685 | biostudies-literature

N-[(2-Hydr-oxy-1-naphth-yl)(2-hydroxy-phen-yl)meth-yl]acetamide.

Project description:In the asymmetric unit of the title compound, C(19)H(17)NO(3), there are two crystallographically independent mol-ecules, which are connected to each other by O-H?O hydrogen bonds, forming mol-ecular chains as well as cyclic centrosymmetric R(2) (2)(16) dimers.

| S-EPMC2968777 | biostudies-literature

N-[(2-Hydr-oxy-5-methoxy-phen-yl)(3-nitro-phen-yl)meth-yl]acetamide.

Project description:In the title compound, C(16)H(16)N(2)O(5), the meth-oxy group is disordered with site occupancies of 0.20?(3) and 0.80?(3). The dihedral angle between the two aromatic rings is 73.7?(2)°. The crystal structure is characterized by intermolecular N-H?O, O-H?O, C-H?O and C-H?? hydrogen bonds.

| S-EPMC2968863 | biostudies-other

N-(4-Meth-oxy-2-nitro-phen-yl)-N-(methyl-sulfon-yl)acetamide.

Project description:In the title compound, C(10)H(12)N(2)O(6)S, the nitro group is twisted slightly out of the plane of the aromatic ring, forming a dihedral angle of 20.79?(1)°. In the crystal, the mol-ecules arrange themselves as a chain along the a axis through inter-molecular C-H?O inter-actions.

| S-EPMC2977642 | biostudies-literature

N-[(6-Bromo-2-meth-oxy-3-quinol-yl)phenyl-meth-yl]-2-morpholino-N-(1-phenyl-ethyl)acetamide.

Project description:In the title compound, C(31)H(32)BrN(3)O(3), the morpholine ring adopts a chair conformation, and the planar quinoline system is twisted with respect to the phenyl rings, with dihedral angles of 17.6?(4) and 75.1?(3)°. Intramolecular C-H?O and C-H?N hydrogen bonds are present. The crystal packing is stabilized by weak C-H?O hydrogen bonding and C-H?? interactions.

| S-EPMC2977165 | biostudies-literature

3-Hydr-oxy-4-nitro-phenyl acetate.

Project description:In the mol-ecule of the title compound, C(8)H(7)NO(5), the acetate group is oriented with respect to the aromatic ring at a dihedral angle of 85.30 (3)°. An intra-molecular O-H⋯O hydrogen bond results in the formation of a non-planar six-membered ring, adopting an envelope conformation. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC2967961 | biostudies-literature

4-Hydr-oxy-3-meth-oxy-5-nitro-aceto-phenone (5-nitro-apocynin).

Project description:The title mol-ecule, C(9)H(9)NO(5), is close to planar (r.m.s. deviation from the mean plane of the non-H atoms = 0.058 Å). The OH group forms a bifurcated O-H⋯(O,O) hydrogen bond, with the intra-molecular component to a nitro O atom and the inter-molecular component to a keto O atom, the latter resulting in chains along [20]. A C-H⋯O inter-action reinforces the packing.

| S-EPMC2969931 | biostudies-literature

2-Hydr-oxy-3-nitro-N-phenyl-benzamide.

Project description:The asymmetric unit of the title compound, C(13)H(10)N(2)O(4), contains two crystallographically independent mol-ecules. The aromatic rings are oriented at dihedral angles of 24.39?(3) and 7.47?(3)° in the two mol-ecules and intra-molecular N-H?O and O-H?O hydrogen bonds result in the formation of two planar six-membered rings. In the crystal structure, inter-molecular O-H?O and C-H?O hydrogen bonds link the mol-ecules into chains, forming R(2) (2)(10) ring motifs. Weak ?-? contacts between the benzene and phenyl rings [centroid-centroid distance = 3.955?(3)?Å] may further stabilize the structure.

| S-EPMC2977725 | biostudies-literature

N-(2-Nitro-phenyl-carbamothio-yl)acetamide.

Project description:In the title compound, C(9)H(9)N(3)O(3)S, the benzene ring and the N-carbamothio-ylacetamide unit are oriented at a dihedral angle of 54.82?(4)°. The dihedral angle between the ring and its attached nitro group is 28.54?(12)°. An intra-molecular, bifurcated N-H?(O,O) hydrogen bond generates two S(6) rings. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds generate R(2) (2)(8) loops. Weak C-H?O inter-actions link the dimers.

| S-EPMC3344673 | 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