Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3'-Benz-yloxy-3-hydr-oxy-3,3'-bi-1H-indole-2,2'(3H,3'H)-dione monohydrate.

ABSTRACT: In the title compound, C(23)H(18)N(2)O(4)·H(2)O, the two oxindole rings subtend a dihedral angle of 54.29?(5)°. The crystal structure is stabilized by intermolecular N-H?O, O-H?O and C-H?? inter-actions.

SUBMITTER: Ramesh P

PROVIDER: S-EPMC2977686 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3'-Benz-yloxy-3-hydr-oxy-3,3'-bi-1H-indole-2,2'(3H,3'H)-dione monohydrate.

Ramesh P P Sundaresan S S SS Lakshmi N Vidhya NV Perumal Paramasivan T PT Ponnuswamy M N MN

Acta crystallographica. Section E, Structure reports online 20090408 Pt 5

In the title compound, C(23)H(18)N(2)O(4)·H(2)O, the two oxindole rings subtend a dihedral angle of 54.29 (5)°. The crystal structure is stabilized by intermolecular N-H⋯O, O-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 21584029

Similar Datasets

2-(Benz-yloxy)iso-quinoline-1,3(2H,4H)-dione.

Project description:The title compound, C16H13NO3, exists in the keto form and the iso-quinoline system is essentially planar (mean deviation = 0.0424 Å). The dihedral angle between the aromatic rings is 4.2 (2)°. In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming a three-dimensional structure.

| S-EPMC3793798 | biostudies-literature

5-Benz-yloxy-3-methyl-1-tosyl-1H-indole.

Project description:The title compound, C23H21NO3S, represents one of the few examples of a 5-substituted indole with a toluene-sulfonyl group bonded to the N atom. The benzyl group adopts a synclinal geometry with respect to the indole ring [dihedral angle = 59.95 (4)°], while the tolyl ring is oriented close to perpendicular to the indole ring, making a dihedral angle of 81.85 (3)°. The indole N atom exhibits a slight pyramidalization.

| S-EPMC3685113 | biostudies-literature

6,6'-Dibromo-2,2'-dihex-yloxy-1,1'-bi-naphthalene.

Project description:The title compound, C(32)H(36)Br(2)O(2), was prepared by the reaction of 6-bromo-1-(2-bromo-6-hydroxy-naphthalen-5-yl)-naphthalen-2-ol and 1-iodo-hexane. The dihedral angle between the naphthalene ring planes is 63.8?(9)° The crystal structure may be stabilized by two very weak ?-? inter-actions involving the six-membered rings, with centroid-centroid distances of 4.012?(4) and 4.010?(4)?Å. The crystal studied was an inversion twin.

| S-EPMC2959541 | biostudies-literature

5,5'-Bis(benz-yloxy)-2,2'-[hydrazine-diylidenebis(methanylyl-idene)]diphenol.

Project description:The title azine mol-ecule, C28H24N2O4, lies about a center of inversion. The dihedral angle between the phenyl ring and the hy-droxy-substituted ring is 70.3?(5)°. The phenolic O-H group forms an intra-molecular hydrogen bond to the azine N atom.

| S-EPMC3885033 | biostudies-literature

3,3'-(2,2'-Bi-1H-imidazole-1,1'-diyl)dipropanol.

Project description:In the title compound, C(12)H(18)N(4)O(2), unlike other unconjugated disubstituted biimidazole derivatives reported so far, the two imidazole rings in a trans conformation exhibit a large planar rotation angle of 51.27?(4)°, and consist of half-mol-ecule asymmetric units related by a twofold rotation. The mol-ecules are linked into a three-dimensional framework with a parallel laminated construction via O-H?N and C-H?O inter-actions.

| S-EPMC2968367 | biostudies-literature

6-(Trifluoro-meth-yl)pyrimidine-2,4(1H,3H)-dione monohydrate.

Project description:The title compound, C(5)H(3)F(3)N(2)O(2)·H(2)O, was prepared by the reaction of ethyl 4,4,4-trifluoro-3-oxobutano-ate with urea. In the crystal, the 6-(trifluoro-meth-yl)pyrimidine-2,4(1H,3H)-dione and water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds. A ring dimer structure is formed by additional inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC3006960 | biostudies-literature

8-Benz-yloxy-2-methyl-3-(2-methyl-phenyl)quinazolin-4(3H)-one.

Project description:In the title methaqua-lone analogue, C(23)H(20)N(2)O(2), the planes of the terminal aromatic rings [dihedral angle between them = 64.52 (7)°] approximately face the fused-ring methyl group and both are twisted with respect to the pyrimidine plane (r.m.s. deviation = 0.028 Å), forming dihedral angles of 86.9 (3) (with the 2-tolyl ring) and 65.57 (7)°. The 2-tolyl residue is disordered over two almost coplanar but opposite orientations with the major component having a site-occupancy factor of 0.893 (3). The three-dimensional crystal packing is consolidated by C-H⋯O, C-H⋯π and π-π [2-tol-yl-2-tolyl centroid-centroid distance = 3.8099 (6) Å] inter-actions.

| S-EPMC3297916 | biostudies-literature

3,3'-(2,2'-Bi-1H-imidazole-1,1'-di-yl)dipropanamide.

Project description:In the title compound, C(12)H(16)N(6)O(2), the two imidazole rings are coplanar as a center of inversion exists midway along the C-C bond joining the two rings. In the crystal, inter-molecular N-H?O, N-H?N and C-H?O hydrogen bonds link adjacent mol-ecules into a two-dimensional layer structure parallel to (001).

| S-EPMC2977265 | biostudies-literature

2-Hydr-oxy-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione monohydrate.

Project description:The title compound, C(15)H(14)N(2)O(3)·H(2)O, consists of a benzodiazepinedione system fused to a pyrrole system. The seven-membered ring adopts a boat-shaped conformation (with the methine C atom as the prow); the five-membered ring adopts an enveloped-shaped conformation (with the hydr-oxy-bearing C atom as the flap). In the crystal, adjacent mol-ecules are linked by O-H⋯O hydrogen bonds into sheets parallel to (102). In addition, C(acetyl-inic)-H⋯O hydrogen bonds occur.

| S-EPMC2983934 | biostudies-literature

N'-[(E)-4-Benz-yloxy-2-hy-droxy-benzyl-idene]-4-nitro-benzohydrazide monohydrate.

Project description:The title compound, C(21)H(17)N(3)O(5)·H(2)O, exists in the keto form with an E conformation with respect to the azomethine double bond. The twist angles between the aromatic rings are in the range 4.67 (10)-17.54 (10)°. A water mol-ecule of solvation is present in the lattice. A conventional intra-molecular O-H⋯N hydrogen bond increases the rigidity of the mol-ecule. Inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen-bonding inter-actions establish a supra-molecular linkage among the mol-ecules in the crystal structure. There are also C-H⋯π inter-actions present.

| S-EPMC3344544 | 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