Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-{(E)-N'-[2-(8-Quinolyloxy)acetyl]hydrazonomethyl}benzoic acid methanol solvate.

ABSTRACT: In the title compound, C(19)H(15)N(3)O(4)·CH(4)O, the mean planes of the benzene ring and the quinoline system make a dihedral angle of 6.7?(2)°. The acetohydrazide host mol-ecules are connected via inter-molecular O-H?O hydrogen bonds into two-dimensional zigzag sheets extending in the ab plane. The methanol solvent mol-ecule is linked to the host mol-ecule via inter-molecular N-H?O and O-H?N hydrogen bonds.

SUBMITTER: Ren CY

PROVIDER: S-EPMC2969234 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-{(E)-N'-[2-(8-Quinolyloxy)acetyl]hydrazonomethyl}benzoic acid methanol solvate.

Ren Chun-Yan CY

Acta crystallographica. Section E, Structure reports online 20090617 Pt 7

In the title compound, C(19)H(15)N(3)O(4)·CH(4)O, the mean planes of the benzene ring and the quinoline system make a dihedral angle of 6.7 (2)°. The acetohydrazide host mol-ecules are connected via inter-molecular O-H⋯O hydrogen bonds into two-dimensional zigzag sheets extending in the ab plane. The methanol solvent mol-ecule is linked to the host mol-ecule via inter-molecular N-H⋯O and O-H⋯N hydrogen bonds. ...[more]

PMID: 21582875

Similar Datasets

2-(4-Dimethyl-amino-2-hydroxy-benzoyl)benzoic acid methanol solvate.

Project description:In the title compound, C(16)H(15)NO(4)·CH(4)O, the dihedral angle between the benzene rings is 75.21 (5)°. The structure is stabilized by an intra-molecular O-H⋯O inter-action [O⋯O = 2.589 (2) Å]. The solvent mol-ecule links symmetry-related mol-ecules of the complex via hydrogen bonds with O⋯O separations of 2.631 (2) and 2.815 (2) Å. C-H⋯O hydrogen bonds are also present.

| S-EPMC2959920 | biostudies-literature

2-[1-(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)-1H-benzimidazol-2-yl]benzoic acid methanol solvate.

Project description:The condensation of 2-carb-oxy-benzaldehyde with 1,2-phenyl-enediamine unexpectedly yielded the title compound, C(22)H(14)N(2)O(4)·CH(4)O. The benzimidazole ring system is almost perpendicular to the phthalazine ring system, making a dihedral angle of 88.4?(5)°. Inter-molecular O-H?N and O-H?O hydrogen-bonding inter-actions stabilize the crystal structure.

| S-EPMC3007451 | biostudies-literature

3-Acetyl-benzoic acid.

Project description:In the crystal structure of the title compound, C(9)H(8)O(3), essentially planar mol-ecules [the carboxyl group makes a dihedral angle of 4.53?(7)° with the plane of the ring, while the acid group forms a dihedral angle of 3.45?(8)° to the ring] aggregate by centrosymmetric hydrogen-bond pairing of ordered carboxyl groups. This yields dimers which have two orientations in a unit cell, creating a herringbone pattern. In addition, two close C-H?O inter-molecular contacts exist: one is between a methyl H atom and the ketone of a symmetry-related mol-ecule and the other involves a benzene H atom and the carboxyl group O atom of another mol-ecule. The crystal studied was a non-merohedral twin with twin law [100, 00, 0] and a domain ratio of 0.8104(14): 0.1896(14).

| S-EPMC3006848 | biostudies-other

4-(4-Methylbenzenesulfonamido)benzoic acid N,N-dimethyl-formamide mono-solvate.

Project description:In the title compound, C(14)H(13)NO(4)S·C(3)H(7)NO, the C-S-N-C torsion angle of -64.55 (17)° defines the folded conformation of the mol-ecule. The dihedral angle between the benzene rings is 83.367 (6)°. In a crystal, mol-ecules are linked into a chain along a axis through inter-molecular N-H⋯O and O-H⋯O hydrogen bonds. There is also an intra-molecular C-H⋯π inter-action.

| S-EPMC3089350 | biostudies-literature

2,3-Diamino-pyridinium benzoate benzoic acid solvate.

Project description:In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(2) (-)·C(7)H(6)O(2), the carboxyl and carboxyl-ate groups are twisted away from their attached benzene rings by 10.75?(7) and 20.33?(6)°, respectively. In the crystal structure, the 2,3-diamino-pyridinium cations, benzoate anions and benzoic acid mol-ecules are linked into a two-dimensional network parallel to (001) by O-H?O, N-H?O and C-H?O hydrogen bonds and ?-? inter-actions between the pyridinium rings [centroid-centroid distance = 3.4981?(7)?Å].

| S-EPMC2979855 | biostudies-other

Febuxostat methanol solvate.

Project description:In the title compound {systematic name: [2-(3-cyano-4-isobutyl-oxyphen-yl)-4-methyl-1,3-thia-zole-5-carb-oxy-lic acid (febuxostat) methanol monosolvate}, C(16)H(16)N(2)O(3)S·CH(4)O, the benzene and thia-zole rings in the febuxostat mol-ecule are twisted at 5.3 (1)°. In the crystal structure, inter-molecular O-H⋯O and O-H⋯N hydrogen bonds link the febuxostat and methanol mol-ecules into helical chains along the 2(1) screw axis.

| S-EPMC3089318 | biostudies-literature

Abacavir methanol 2.5-solvate.

Project description:THE STRUCTURE OF ABACAVIR (SYSTEMATIC NAME: {(1S,4R)-4-[2-amino-6-(cyclo-propyl-amino)-9H-purin-9-yl]cyclo-pent-2-en-1-yl}methanol), C(14)H(18)N(6)O·2.5CH(3)OH, consists of hydrogen-bonded ribbons which are further held together by additional hydrogen bonds involving the hydroxyl group and two N atoms on an adjacent purine. The asymmetric unit also contains 2.5?mol-ecules of methanol solvate which were grossly disordered and were excluded using SQUEEZE subroutine in PLATON [Spek, (2009 ?). Acta Cryst. D65, 148-155].

| S-EPMC2977439 | biostudies-literature

Stevioside methanol tetra-solvate.

Project description:Stevioside is a naturally occurring diterpenoid glycoside in Stevia rebaudiana Bertoni. The title compound, C38H60O18·4CH3OH, crystallized as its methanol tetrasolvate. Stevioside consists of an aglycone steviol (a tetra-cyclic diterpene in which the four-fused-ring system consists of three six-membered rings and one five-membered ring) and a sugar part (three glucose units). A weak intra-molecular O-H?O hydrogen bond occurs. In the crystal, the methanol mol-ecules participate in a two-dimensional hydrogen-bonded network parallel to b axis with the sugars and together they form a hydrophilic tunnel which encloses the lipophilic part of the molecule.

| S-EPMC3588499 | biostudies-literature

(E)-2-(Isonicotinoylhydrazonometh-yl)benzoic acid methanol monosolvate.

Project description:The title compound, C(14)H(11)N(3)O(3)·CH(4)O, was synthesized by the condensation reaction of isonicotinohydrazide with an equimolar quantity of 2-formyl-benzoic acid in methanol. The hydrazone mol-ecule displays an E configuration about the C=N bond. The dihedral angel between the pyridine and the benzene rings is 12.04?(5)°. In the crystal structure, mol-ecules are linked by O-H?N, O-H?O and N-H?O hydrogen-bonding inter-actions.

| S-EPMC2970267 | biostudies-other

Crystal structure of 3-[(2-acetyl-phen-oxy)carbon-yl]benzoic acid.

Project description:In the title compound, C16H12O5, synthesized from isopthaloyl chloride and 2'-hy-droxy-aceto-phenone, the dihedral angle between the planes of the aromatic rings is 71.37?(9)°. In the crystal, carb-oxy-lic acid inversion dimers generate R 2 (2)(8) loops. The dimers are linked by C-H?O inter-actions, generating (101) sheets.

| S-EPMC4257273 | 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