Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(2-Hy-droxy-eth-yl)-5-(4-meth-oxy-phen-yl)-4H-pyrazole-3-carboxamide.

ABSTRACT: In the title compound, C(13)H(15)N(3)O(3), the dihedral angle between the benzene and pyrazole rings is 7.7 (1)° and the O-C-C-N torsion angle of the side chain is 74.1 (2)°. In the crystal, mol-ecules are linked by O-H⋯O, N-H⋯O and N-H⋯N hydrogen bonds.

SUBMITTER: Han G

PROVIDER: S-EPMC3297946 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1-(2-Hy-droxy-eth-yl)-3-(3-meth-oxy-phen-yl)thio-urea.

Project description:In the title compound, C(10)H(14)N(2)O(3)S, the 3-meth-oxy-phenyl unit is almost planar, with an r.m.s. deviation of 0.013 Å. The dihedral angle between the benzene ring and the plane of the thio-urea unit is 62.57 (4)°. In the crystal, N-H⋯O and O-H⋯S hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2983277 | biostudies-literature

3-Hy-droxy-2-(4-meth-oxy-phen-yl)-4H-chromen-4-one.

Project description:In the title compound, C(16)H(12)O(4), the benzene ring is twisted at an angle of 12.3 (1)° relative to the 4H-chromene skeleton, and an intramolecular O-H⋯O hydrogen bond occurs. The meth-oxy group is almost coplanar with the benzene ring [1.5 (1)°]. In the crystal, inversely oriented mol-ecules are arranged in double (A, A') columns, along the b axis, and are linked by a network of inter-molecular O-H⋯O hydrogen bonds (between A and A') and C-H⋯π contacts (within A or A'). The 4H-chromene cores are parallel within A or A', but make a dihedral angle of 88.6 (1)° between A and A'.

| S-EPMC3051573 | biostudies-literature

2-(4-Hy-droxy-phen-yl)-3-meth-oxy-4H-chromen-4-one.

Project description:In the title compound, C16H12O4, the substituent benzene ring and meth-oxy group are twisted relative to the 4H-chromene skeleton by 24.1 (1) and 61.3 (1)°, respectively. In the crystal, mol-ecules are connected by classical O-H⋯O and weak C-H⋯O hydrogen bonds, forming chains parallel to [201]. The 4H-chromene ring systems of adjacent mol-ecules are either parallel or inclined at an angle of 28.9 (1)°.

| S-EPMC3685052 | biostudies-literature

1-(2-Hy-droxy-2-phenyl-eth-yl)-3-(4-meth-oxy-phen-yl)urea.

Project description:In the title compound, C(16)H(18)N(2)O(3), the dihedral angle between the 4-meth-oxy-phenyl ring and the urea group is 35.6?(2) °. The H atoms of the urea NH groups are positioned syn to each other. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into a two-dimensional array in the ac plane; the carbonyl-O atom is trifurcated.

| S-EPMC3201395 | biostudies-literature

(E)-Methyl 2-({2-eth-oxy-6-[(E)-(hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-phenyl-acrylate.

Project description:In the title compound, C(20)H(21)NO(5), the dihedral angle between the mean planes through the two rings is 47.1 (8)°. The enoate group assumes an extended conformation. The hy-droxy-ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.061 (1) Å for the O atom. In the crystal, mol-ecules are linked into cyclic centrosymmetric dimers with an R(2) (2)(6) motif via pairs of O-H⋯N hydrogen bonds. Inter-molecular C-H⋯O hydrogen bonds form a C(8) chain along the b axis. The crystal packing is further stabilized by C-H⋯π inter-actions.

| S-EPMC3344504 | biostudies-literature

5,7-Dihy-droxy-2-(3-hy-droxy-4,5-dimeth-oxy-phen-yl)-6-meth-oxy-4H-chromen-4-one.

Project description:The title compound, C18H16O8, was isolated from the plant Artemisia baldshuanica Krasch et Zarp. The mol-ecule is approximately planar, with the exception of the terminal methyl groups, the C atoms of which devitate from their attached ring planes by 1.243 (5) and 1.168 (5) Å. The dihedral angle between the substituted benzopyran and benzene rings is 5.8 (1)°; this near planarity could be due to conjugation or a packing effect. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds occur. In the crystal, mol-ecules are connected by O-H⋯O hydrogen bonds involving the hy-droxy and carbonyl groups, forming hydrogen-bonded chains along [001] and [1-10]. The chains are linked by C-H⋯O inter-actions.

| S-EPMC3629625 | biostudies-literature

4-(5-Hy-droxy-meth-yl-2-meth-oxy-phen-oxy)benzoic acid.

Project description:The title compound, C(15)H(14)O(5), crystallizes with two independent mol-ecules in the asymmetric unit in which the benzene rings are inclined at dihedral angles of 79.4 (1) and 84.2 (1)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into double chains propagating in [001].

| S-EPMC3089302 | biostudies-literature

Crystal structure of 2-(3,4-di-meth-oxy-phen-yl)-3-hy-droxy-4H-chromen-4-one.

Project description:In the title compound, C17H14O5, the dimeth-oxy-substituted benzene ring is twisted relative to the 4H-chromenon skeleton (r.m.s. deviation = 0.015 Å) by 5.2 (4)°. The C atoms of the meth-oxy groups lie close to the plane of their attached benzene ring [deviations = 0.036 (3) and 0.290 (3)Å for the meta and para substituents, respectively]. An intra-molecular O-H⋯O hydrogen bond closes an S(5) ring. In the cystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R 2 (2)(10) loops and C-H⋯O inter-actions connect the dimers into [010] chains.

| S-EPMC4186158 | biostudies-literature

2-(2,5-Dimeth-oxy-phen-yl)-N-[2-(4-hy-droxy-phen-yl)eth-yl]acetamide.

Project description:In the title compound, C(18)H(21)NO(4), the dihedral angles between the acetamide group and the meth-oxy- and hy-droxy-substitured benzene rings are 80.81 (5) and 8.19 (12)°, respectively. The benzene rings are twisted with respect to each other, making a dihedral angle of 72.89 (5)°. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3343941 | biostudies-literature

N-(2,5-Dimeth-oxy-phen-yl)-N'-[4-(2-hy-droxy-eth-yl)phen-yl]urea.

Project description:In the title compound, C(17)H(20)N(2)O(4), the 2,5-dimeth-oxy-phenyl unit is essentially planar, with an r.m.s. deviation of 0.015 Å. The dihedral angle between the benzene rings is 43.66 (4)°. The mol-ecular structure is stabilized by a short intra-molecular N-H⋯O hydrogen bond. In the crystal, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3007839 | 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