Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2'-Amino-3,6-dihydroxyxanthene-9-spiro-1'-isoindolin-3'-one monohydrate.

ABSTRACT: The title compound, C(20)H(14)N(2)O(4)·H(2)O, was synthesized by the reaction of fluorescein and hydrazine hydrate in ethanol. In the crystal structure, the organic mol-ecules are linked into extended two-dimensional networks by inter-molecular hydrogen bonding. Additional face-to-face ?-? stacking inter-actions between the phenolic benzene rings in two adjacent mol-ecules [centroid-to-centroid separation = 3.773?(3)?Å] link the mol-ecules into a three-dimensional framework.

SUBMITTER: Wang DX

PROVIDER: S-EPMC2960396 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2'-Amino-3,6-dihydroxyxanthene-9-spiro-1'-isoindolin-3'-one monohydrate.

Wang Dong-Xiang DX Wu Gen-Hua GH

Acta crystallographica. Section E, Structure reports online 20080109 Pt 2

The title compound, C(20)H(14)N(2)O(4)·H(2)O, was synthesized by the reaction of fluorescein and hydrazine hydrate in ethanol. In the crystal structure, the organic mol-ecules are linked into extended two-dimensional networks by inter-molecular hydrogen bonding. Additional face-to-face π-π stacking inter-actions between the phenolic benzene rings in two adjacent mol-ecules [centroid-to-centroid separation = 3.773 (3) Å] link the mol-ecules into a three-dimensional framework. ...[more]

PMID: 21201425

Similar Datasets

3,6-Dihydr-oxy-2'-[(2-hydr-oxy-1-naphth-yl)methyl-eneamino]xanthene-9-spiro-1'-isoindolin-3'-one acetonitrile solvate.

Project description:The title compound, C(31)H(20)N(2)O(5)·C(2)H(3)N, was synthesized by the reaction of fluorescein hydrazide and excess 2-hydr-oxy-1-naphthaldehyde in acetonitrile. The spirolactam ring is planar and is nearly at right angles to the two benzene rings of the xanthene system. The dihedral angle between the two benzene rings of the xanthene system is 9.92?(4)°. In the crystal structure, the mol-ecules are linked into extended two-dimensional networks by inter-molecular hydrogen bonding. Acetonitrile mol-ecules are located in the voids between the two-dimensional networks.

| S-EPMC2960338 | biostudies-literature

7-Amino-1,8-naphthyridin-2(1H)-one monohydrate.

Project description:In the crystal structure of the title compound, C(8)H(7)N(3)O·H(2)O, adjacent organic mol-ecules are linked together into a tape along the a axis through N-H⋯N and N-H⋯O hydrogen bonds. On the other hand, water mol-ecules are linked together to form a chain along the b axis through O-H⋯O hydrogen bonds. The water chains and the organic mol-ecular tapes are further connected by inter-molecular O-H⋯O hydrogen bonds, forming a three-dimensional network. In addition, a π-π stacking inter-action between the 1,8-naphthyridine ring systems with an inter-planar separation of 3.246 (1) Å and a centroid-centroid distance of 3.825 (2) Å is observed.

| S-EPMC3200605 | biostudies-literature

3,6-Dibromo-7-ethyl-amino-4-methyl-2H-chromen-2-one.

Project description:In title compound, C(12)H(11)Br(2)NO(2), the coumarin ring system is almost planar, the two rings being inclined to one another by 1.40?(15)°. There are two short intra-molecular inter-actions (N-H?Br and C-H?Br) involving the Br atoms. In the crystal, mol-ecules stack along the a-axis direction via ?-? inter-actions; the centroid-centroid distances vary from 3.6484?(19) to 3.7942?(19)?Å.

| S-EPMC3344057 | biostudies-literature

Bis(2-amino-4-methyl-6-oxo-3,6-di-hydro-pyrimidin-1-ium) sulfate monohydrate.

Project description:In the title hydrated mol-ecular salt, 2C5H8N3O(+)·SO4 (2-)·H2O, the components are linked by N-H?Os and Ow-H?Os (s = sulphate, w = water) hydrogen bonds, generating a layer by a+b+c and 2a-b translations. The cations are arranged nearly in parallel and show displaced ?-? stacking centroid-centroid distance = 4.661?(2)?Å between adjacent layers.

| S-EPMC4120550 | biostudies-literature

3',6'-Bis(diethyl-amino)-2-(2-hydroxy-ethyl-amino)spiro-[isoindoline-1,9'-xanthen]-3-one.

Project description:In the title mol-ecule, C(30)H(36)N(4)O(3), the dihedral angle between the planes of the xanthene and spiro-lactam rings systems is 88.69?(4)°. Both C atoms of one of the ethyl groups are disordered over two sites with occupancies 0.72?(2)/0.28?(2). The conformation of the mol-ecule may be influenced by two intra-molecular hydrogen bonds.

| S-EPMC2961713 | biostudies-literature

3',6'-Bis(diethyl-amino)-2-phenyl-spiro[isoindoline-1,9'-xanthen]-3-one.

Project description:The title compound, C(34)H(35)O(2)N(3), was synthesized by the reaction of 2-[3,6-bis-(diethyl-amino)-9H-xanthen-9-yl]benzoyl chloride with aniline. In the mol-ecular structure, the dihedral angles between the isoindoline and xanthene planes and between the isoindoline and benzene planes are 86.9?(3) and 47.0?(2)°, respectively. The mol-ecular packing in the crystal structure is stabilized by weak C-H?O hydrogen bonding.

| S-EPMC2969317 | biostudies-literature

2-[(2,4-Dihydroxy-benzyl-idene)amino]-3',6'-bis-(ethyl-amino)spiro-[isoindoline-1,9'-xanthen]-3-one.

Project description:The title compound, C(35)H(36)N(4)O(4), was prepared as a spiro-lactam ring formation of rhodamine B dye for comparison with a ring-opened form. The xanthene ring system is approximately planar. The r.m.s. deviation from planarity is 0.064?(6)?Å for the xanthene ring. The dihedral angles formed by the spiro-lactam and 2,4-dihydroxy-benzene rings with the xanthene ring system are 86.6?(9) and 88.0?(9)°, respectively.

| S-EPMC2979423 | biostudies-literature

2-(4-Hydroxy-biphenyl-3-yl)isoindolin-1-one.

Project description:In the mol-ecular structure of the title compound, C(20)H(15)NO(2), the isoindolin-1-one unit is planar, the maximum atomic deviation being 0.048 (2) Å. The two biphenyl rings are twisted with respect to the isoindolin-1-one plane, making dihedral angles of 33.21 (9) and 33.34 (9)°. The two benzene rings of the biphenyl substituent are oriented at a dihedral angle of 35.43 (11)° to each other. An intra-molecular O-H⋯O inter-action occurs and inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2979960 | biostudies-literature

2-[(E)-2-(Benzyl-idene-amino)-eth-yl]-3',6'-bis-(diethyl-amino)-spiro-[isoindoline-1,9'-xanthen]-3-one.

Project description:In the title compound, C(37)H(40)N(4)O(2), the xanthene and spiro-lactam rings are almost planar, with r.m.s. deviations from the mean planes of 0.223?(2) and 0.057?(2)?Å, respectively, and form a dihedral angle of 85.76?(3)°. The dihedral angle between the xanthene mean plane and the benzene ring is 87.16?(5)°. One of the two ethyl groups of one of the diethyl-amino groups is disordered over two sets of sites [0.76?(1):0.24?(1)].

| S-EPMC3151774 | biostudies-literature

3-Hydr-oxy-3-phenyl-isoindolin-1-one 0.33-hydrate.

Project description:The asymmetric unit of the title compound, C(14)H(11)NO(2)·0.33H(2)O, contains three 3-hydr-oxy-3-phenyl-isoindolin-1-one (HPIO) mol-ecules and one water mol-ecule. The three independent HPIO mol-ecules differ in the orientations of hydr-oxy and phenyl groups substituted at the 3-position with respect to the planar [r.m.s. deviations of 0.0173, 0.0170 and 0.0102?Å] dihydro-isoindolin-1-one ring system. In the crystal structure, mol-ecules are linked into a three-dimensional network by O-H?O, N-H?O and C-H?O hydrogen bonds.

| S-EPMC2972140 | 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