Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Benzyl-3-hy-droxy-2-phenyl-3H-indole 1-oxide.

ABSTRACT: The asymmetric unit of the title compound, C(21)H(17)NO(2), contains two crystallographically independent mol-ecules of similar geometry. The indole ring systems form dihedral angles of 8.30?(5) and 9.58?(5)° with the attached phenyl rings, and 56.96?(5) and 57.68?(5)° with the aromatic rings of the respective benzyl groups. The mol-ecular conformations are stabilized by intra-molecular C-H?O hydrogen bonds. In the crystal structure, centrosymmetrically related pairs of mol-ecules are linked into dimers through pairs of inter-molecular O-H?O hydrogen bonds, generating 12-membered rings with R(2) (2)(12) motifs. The dimers are further linked into a three-dimensional network by C-H?O inter-actions.

SUBMITTER: Rizzoli C

PROVIDER: S-EPMC3007230 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Benzyl-3-hy-droxy-2-phenyl-3H-indole 1-oxide.

Rizzoli Corrado C Astolfi Paola P Marku Elda E Greci Lucedio L

Acta crystallographica. Section E, Structure reports online 20100710 Pt 8

The asymmetric unit of the title compound, C(21)H(17)NO(2), contains two crystallographically independent mol-ecules of similar geometry. The indole ring systems form dihedral angles of 8.30 (5) and 9.58 (5)° with the attached phenyl rings, and 56.96 (5) and 57.68 (5)° with the aromatic rings of the respective benzyl groups. The mol-ecular conformations are stabilized by intra-molecular C-H⋯O hydrogen bonds. In the crystal structure, centrosymmetrically related pairs of mol-ecules are linked int ...[more]

PMID: 21588302

Similar Datasets

(2E)-N'-[(E)-2-Hy-droxy-benzyl-idene]-3-phenyl-prop-2-enohydrazide.

Project description:In the non-planar title compound, C(16)H(14)N(2)O(2), the dihedral angle between the phenyl rings is 16.67?(8)°. An E conformation is found for each of the imine [1.286?(2)?Å] and ethyl-ene [1.335?(2)?Å] bonds. The amide O and H atoms are anti, and an intra-molecular hy-droxy O-H?N hydrogen bond is noted. The formation of N-H?O(hy-droxy) hydrogen bonds in the crystal packing leads to helical chains along the b axis. Supra-molecular layers in the ab plane are formed as the chains are linked by C-H?O inter-actions.

| S-EPMC3394040 | biostudies-literature

5-Acetyl-3-hy-droxy-4-phenyl-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one.

Project description:In the title compound, C(17)H(16)N(2)O(3), the seven-membered diazepine ring adopts a boat conformation with the hy-droxy-substituted C atom at the prow and fused benzene ring C atoms at the stern. The phenyl substituent occupies an equatorial position. The amino group of the ring system is a hydrogen-bond donor to the oxo O atom of an inversion-related mol-ecule, and the hy-droxy group is a hydrogen-bond donor to the acetyl O atom of another inversion-related mol-ecule. The two hydrogen bonds generate a ribbon motif parallel to [10[Formula: see text]] in the crystal structure.

| S-EPMC3238984 | biostudies-literature

5-[(E)-(5-Bromo-2-hy-droxy-benzyl-idene)amino]-1,3,4-thia-diazole-2(3H)-thione.

Project description:In the title mol-ecule, C(9)H(6)BrN(3)OS(2), the dihedral angle between the benzene ring and the five-membered ring is 5.5?(3)°. An intra-molecular O-H?N hydrogen bond forms an S(6) ring motif. In the crystal, N-H?S hydrogen bonds link mol-ecules into centrosymmetric dimers creating R(2) (2)(8) ring motifs. In addition, there are inter-molecular S?S [3.430?(2)?Å] contacts. The crystal used was a non-merohedral twin with a ratio of 0.113?(3):0.887?(3) for the components.

| S-EPMC3239069 | biostudies-literature

1-Benzyl-1H-benzotriazole 3-oxide-1-hy-droxy-1H-benzotriazole (1/1).

Project description:In the title compound, C(6)H(5)N(3)O·C(13)H(11)N(3)O, the benzo-triazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A) mol-ecule is close to being planar (r.m.s. deviation = 0.011?Å); its mean plane forms a dihedral angle of 67.56?(7)° with that of the attached phenyl ring. The benzotriazole ring system in the 1-hy-droxy-benzotriazole (B) mol-ecule is also close to being planar (r.m.s. deviation = 0.010?Å). In the crystal, weak C-H?O and C-H?? inter-actions are present. The A and B molecules are linked by an O-H?N hydrogen bond.

| S-EPMC3414323 | biostudies-literature

4-Hy-droxy-N'-(4-hy-droxy-3-nitro-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title compound, C(14)H(11)N(3)O(5), assumes an E configuration with respect to the methyl-idene unit. An intra-molecular O-H?O hydrogen bond is present in the mol-ecule. The dihedral angle between the mean planes of the two benzene rings is 5.46?(15)°. The crystal structure is stabilized by inter-molecular O-H?O, O-H?N, and N-H?O hydrogen bonds.

| S-EPMC3051539 | biostudies-literature

2-Hy-droxy-N'-(4-hy-droxy-3-nitro-benzyl-idene)benzohydrazide.

Project description:The title compound, C(14)H(11)N(3)O(5), crystallized with two independent mol-ecules per asymmetric unit. Each mol-ecule assumes an E configuration with respect to the methyl-idene unit. Intra-molecular O-H?O and N-H?O hydrogen bonds are present in each mol-ecule and they are linked by an O-H?O hydrogen bond. The dihedral angles between the mean planes of the two benzene rings are 4.45?(16) and 1.7?(2)° in the two mol-ecules. The crystal structure is stabilized by inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC3051712 | biostudies-literature

N'-(2-Hy-droxy-benzyl-idene)-2-(hy-droxy-imino)-propano-hydrazide.

Project description:The mol-ecule of the title compound, C(10)H(11)N(3)O(3), adopts an all-trans conformation and is approxomately planar, the largest deviation from the least-squares plane through all non-H atoms being 0.261 (1) Å. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, the mol-ecules are packed into layers lying parallel to the ab plane by π-stacking inter-actions between the benzene ring of one molecule and the C-N bond of the oxime group of another molecule; the shortest inter-molecular C⋯C separation within the layer is 3.412 (1) Å. The layers are connected by O-H⋯O and N-H⋯O hydrogen bonds.

| S-EPMC3238939 | biostudies-literature

2-Hy-droxy-N'-(4-hy-droxy-benzyl-idene)-3-methyl-benzohydrazide.

Project description:The title compound, C(15)H(14)N(2)O(3), was prepared by condensing 4-hy-droxy-benzaldehyde and 2-hy-droxy-3-methyl-benzo-hydra-zide in methanol. The two benzene rings make a dihedral angle of 19.03 (11)°. An intra-molecular O-H⋯O hydrogen bond is observed. The crystal structure is stabilized by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds and C-H⋯O inter-actions, which lead to the formation of a three-dimensional network.

| S-EPMC3274990 | biostudies-literature

(E)-2-(4-Benz-yloxy-2-hy-droxy-benzyl-idene)-N-phenyl-hydrazinecarbothio-amide.

Project description:The title compound, C(21)H(19)N(3)O(2)S, exists in the thione form. The configuration about the C=N bond is E. The hydrazinecarbothio-amide unit adopts an almost planar arrangement, with maximum deviations of 0.016?(3) and -0.016?(2)?Å for the two thio-urea N atoms. An intra-molecular O-H?N hydrogen bond occurs. Weak inter-molecular N-H?S, C-H?O and C-H?? inter-actions are observed in the crystal structure.

| S-EPMC3239056 | biostudies-literature

(E)-5-[(2-Hy-droxy-3-meth-oxy-benzyl-idene)amino]-1,3,4-thia-diazole-2(3H)-thione.

Project description:In the title compound, C(10)H(9)N(3)O(2)S(2), the dihedral angle between the benzene ring and the five-membered ring is 1.54?(13)°. An intra-molecular O-H?N hydrogen bond makes an S(6) ring. In the crystal, mol-ecules are linked together through bifurcated N-H?(O,O) hydrogen bonds having R(1) (2)(5) ring motifs, forming chains along the b axis. The crystal structure also features ?-? inter-actions, with centroid-centroid distances of 3.699?(3)-3.767?(3)?Å.

| S-EPMC3239138 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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