Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(4-Amino-2-fluoro-phen-oxy)-7-meth-oxy-quinazolin-6-ol methanol monosolvate.

ABSTRACT: In the title compound, C(15)H(12)FN(3)O(3)·CH(3)OH, the dihedral angle between the quinazoline ring system and the benzene ring is 81.18 (9)°. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯N hydrogen bonds, generating [10-1] chains of alternating main mol-ecules and solvent mol-ecules. Weak C-H⋯O inter-actions are also observed.

SUBMITTER: Huang W

PROVIDER: S-EPMC3344092 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

N'-(3-Fluoro-benzyl-idene)-4-hy-droxy-3-meth-oxy-benzohydrazide methanol monosolvate.

Project description:In the title compound, C(15)H(13)FN(2)O(3)·CH(3)OH, the dihedral angle between the benzene rings of the benzohydrazone mol-ecule is 5.3 (3)°. The C atom of the meth-oxy group is almost coplanar with its attached ring [deviation = 0.017 (2) Å]. The r.m.s. deviation of the 21 non-H atoms of the hydrazone mol-ecule is 0.106 Å. In the crystal, the components are linked by O(m)-H⋯O(h), N(h)-H⋯O(m) and O(h)-H⋯O(h) (m = methanol and h = hydrazone) hydrogen bonds, forming (001) layers.

| S-EPMC3344474 | biostudies-literature

4-Dimethyl-amino-N'-(2-hy-droxy-4-meth-oxy-benzyl-idene)benzohydrazide methanol monosolvate.

Project description:The asymmetric unit of the title compound, C(17)H(19)N(3)O(3)·CH(4)O, comprises two Schiff base mol-ecules and two methanol solvent mol-ecules. The Schiff base mol-ecules are approximately planar, with r.m.s. deviations from the planes defined by the non-H atoms of 0.107 and 0.154?Å, and with dihedral angles between the benzene rings of 4.49?(15) and 8.39?(15)°, respectively. This near-planarity is assisted by the formation of intra-molecular O-H?N hydrogen bonds in each mol-ecule. In the crystal, the components are linked by N-H?O and O-H?O hydrogen bonds to form chains along [010].

| S-EPMC3470357 | biostudies-literature

Crystal structure of 4,5-bis-(3,4,5-tri-meth-oxy-phen-yl)-2H-1,2,3-triazole methanol monosolvate.

Project description:The title compound, C20H23N3O6·CH3OH, was synthesized by [3 + 2] cyclo-addition of (Z)-2,3-bis-(3,4,5-tri-meth-oxy-phen-yl)acrylo-nitrile with sodium azide and ammonium chloride in DMF/water. The central nitro-gen of the triazole ring is protonated. The dihedral angles between the triazole ring and the 3,4,5-tri-meth-oxy-phenyl ring planes are 34.31?(4) and 45.03?(5)°, while that between the 3,4,5-tri-meth-oxy-phenyl rings is 51.87?(5)°. In the crystal, the mol-ecules, along with two methanol solvent mol-ecules are linked into an R (4) 4(10) centrosymmetric dimer by N-H?O and O-H?N hydrogen bonds.

| S-EPMC4257191 | biostudies-literature

2-Anilino-3-(2-hy-droxy-phen-yl)quinazolin-4(3H)-one methanol monosolvate.

Project description:In the title compound, C(20)H(15)N(3)O(2)·CH(3)OH, the quinazolin-one ring system is approximately planar, the dihedral angle between the pyrimidinone ring and the adjacent benzene ring being 1.73 (6)°. The pyrimidinone ring makes dihedral angles of 77.58 (6) and 29.62 (6)°, respectively, with the hy-droxy-phenyl and phenyl rings. In the crystal, the components are connected by O-H⋯O and C-H⋯O hydrogen bonds, forming a zigzag chain along the b axis.

| S-EPMC3008070 | biostudies-literature

4-Chloro-N'-(4-meth-oxy-benzyl-idene)benzohydrazide methanol monosolvate.

Project description:The title compound, C(15)H(13)ClN(2)O(2)·CH(4)O, consists of a 4-chloro-N'-(4-meth-oxy-benzyl-idene)benzohydrazide (CMB) mol-ecule and a methanol mol-ecule of crystallization. It was obtained by the condensation of 4-meth-oxy-benzaldehyde with 4-chloro-benzohydrazide. In the CMB mol-ecule, the dihedral angle between the two benzene rings is 50.1?(3)°. The methanol mol-ecule is linked to the CMB mol-ecule through O-H?O and O-H?N hydrogen bonds. In the crystal, CMB mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, involving the methanol mol-ecule, forming chains propagating along [010].

| S-EPMC3009357 | biostudies-literature

1,5-Bis(4-meth-oxy-benzyl-idene)thio-carbonohydrazide methanol monosolvate.

Project description:In the title compound, C(17)H(18)N(4)O(2)S·CH(3)OH, the two benzene rings in the thio-carbonohydrazide mol-ecule form a dihedral angle of 22.42?(18)°. Pairs of N-H?S hydrogen bonds link thio-carbonohydrazide mol-ecules into centrosymmetric dimers. Methanol solvent mol-ecules serve as donors (O-H?S and O-H?N) and acceptors (N-H?O and C-H?O) of weak inter-molecular hydrogen bonds, which link further these dimers into double ribbons along the b axis.

| S-EPMC3213573 | biostudies-literature

1,5-Bis(2-meth-oxy-benzyl-idene)thio-carbonohydrazide methanol monosolvate.

Project description:The title compound, C17H18N4O2S·CH3OH, was synthesized by the condensation reaction of o-meth-oxy-benzaldehyde with thio-carbohydrazide in methanol. The two benzene rings are inclined each to other at 31.7 (1)°. Inter-molecular N-H⋯O and bifurcated O-H⋯N(S) hydrogen bonds link two thio-carbonohydrazide and two solvent mol-ecules into a centrosymmetric unit. These units, related by translation along the b axis, are further aggregated into columns through N-H⋯S hydrogen bonds.

| S-EPMC3770410 | biostudies-literature

(2,3,5,6-Tetra-fluoro-phenolato)[5,10,15,20-tetra-kis-(4-meth-oxy-phen-yl)porphyrinato]iron(III) cyclo-hexane monosolvate.

Project description:The title compound, [Fe(C6HF4O)(C48H36N4O4)]·C6H12, represents a five-coordinate iron(III) porphyrin complex in a square-pyramidal geometry with a tetra-fluoro-phenolate anion as the axial ligand. The Fe(III) atom is displaced by 0.364?(2)?Å from the 24-atom mean plane of the porphyrinate ring towards the tetra-fluoro phenolate anion. The average Fe-N distance is 2.053?(2)?Å and the Fe-O distance is 1.883?(2)?Å. A porphyrin aryl H atom points in the general direction of the phenoxide ring. The mean plane separation between the 24-atom porphyrin planes of two adjacent porphyrin rings is ?3.7?Å, and the lateral shift is ?3.5?Å resu, ting in an Fe?Fe separation of 5.6167?(14)?Å.

| S-EPMC3790344 | biostudies-literature

4-(3-Fluoro-4-meth-oxy-phen-yl)-1-(4-meth-oxy-phen-yl)-5-(3,4,5-trimeth-oxy-phen-yl)-1H-imidazole.

Project description:In the title mol-ecule, C(26)H(25)FN(2)O(5), the fluoro-meth-oxy-, meth-oxy- and trimeth-oxy-substituted benzene rings form dihedral angles of 12.65?(2), 84.15?(2) and 55.67?(2)°, respectively, with the imidazole ring. The crystal structure is stabilized weak inter-molecular C-H?F and C-H?O hydrogen bonds.

| S-EPMC3011382 | biostudies-literature

1-(Isopropyl-amino)-3-phen-oxy-propan-2-ol.

Project description:In the crystal structure of the title amino alcohol derivitive, C(12)H(19)NO(2), mol-ecules are linked by N-H?O hydrogen bonds. The mol-ecular structure exhibits an intra-molecular O-H?N hydrogen bond.

| S-EPMC3275041 | 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