Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6-(2-Methoxy-benzyl-amino)purine.

ABSTRACT: The title compound, C(13)H(13)N(5)O, consists of discrete mol-ecules connected by N-H⋯N hydrogen bonds to form infinite chains, with N⋯N separations of 3.0379 (15) and 2.8853 (15) Å. The benzene and purine ring systems make a dihedral angle of 77.58 (3)°. The crystal structure is further stabilized by intra-molecular N⋯O inter-actions [2.9541 (12) Å] and inter-molecular C-H⋯C and C⋯C contacts [3.304 (2), 3.368 (2), 3.667 (2), 3.618 (2) and 3.512 (2) Å] which arrange the mol-ecules into graphite-like layers. The inter-layer separations are 3.248 and 3.256 Å.

SUBMITTER: Travnicek Z

PROVIDER: S-EPMC2961176 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

6-(2-Methoxy-benzyl-amino)purine.

Trávníček Zdeněk Z Matiková-Maľarová Miroslava M Mikulík Jiří J

Acta crystallographica. Section E, Structure reports online 20080410 Pt 5

The title compound, C(13)H(13)N(5)O, consists of discrete mol-ecules connected by N-H⋯N hydrogen bonds to form infinite chains, with N⋯N separations of 3.0379 (15) and 2.8853 (15) Å. The benzene and purine ring systems make a dihedral angle of 77.58 (3)°. The crystal structure is further stabilized by intra-molecular N⋯O inter-actions [2.9541 (12) Å] and inter-molecular C-H⋯C and C⋯C contacts [3.304 (2), 3.368 (2), 3.667 (2), 3.618 (2) and 3.512 (2) Å] which arrange the mol-ecules into graphite- ...[more]

PMID: 21202313

Similar Datasets

(E)-3-(2-Hydr-oxy-4-methoxy-benzyl-idene-amino)benzonitrile.

Project description:In the mol-ecule of the title compound, C(15)H(12)N(2)O(2), the aromatic rings are oriented at a dihedral angle of 28.11?(3)°. Intra-molecular O-H?N hydrogen bonding results in the formation of a planar six-membered ring, which is nearly coplanar with the adjacent ring at a dihedral angle of 1.53?(3)°. In the crystal structure, ?-? contacts between the benzene rings [centroid-centroid distance = 3.841?(1)?Å] may stabilize the structure.

| S-EPMC2969199 | biostudies-literature

(E)-3-(2-Hydr-oxy-3-methoxy-benzyl-idene-amino)benzonitrile.

Project description:The mol-ecule of the title compound, C(15)H(12)N(2)O(2), displays a trans configuration with respect to the C=N double bond. The dihedral angle between the two benzene rings is 30.46?(14)°. A strong intra-molecular O-H?O hydrogen bond stabilizes the mol-ecular structure.

| S-EPMC2977331 | biostudies-literature

2-Amino-N-(2-benz-yloxy-3-methoxy-benzyl-idene)aniline.

Project description:The title compound, C(21)H(20)N(2)O(2), a Schiff base ligand, contains two independent mol-ecules (A and B) in the asymmetric unit, with similar conformations. In mol-ecule A, the central benzene ring forms dihedral angles of 30.79 (13) and 23.56 (13)°, respectively, with the amino and benzyl benzene rings, while in mol-ecule B these angles are 32.30 (13) and 13.13 (12)°. The mol-ecular structure is stabilized by intra-molecular N-H⋯N and C-H⋯O hydrogen bonds. The crystal structure is stabilized by N-H⋯N hydrogen bonds and N-H⋯π and C-H⋯π inter-actions.

| S-EPMC2961660 | biostudies-literature

2-Amino-N-(2-hydr-oxy-3-methoxy-benzyl-idene)aniline.

Project description:In the title compound, C(14)H(14)N(2)O(2), the dihedral angle between the two benzene rings is 9.67 (10)°. Two intra-molecular O-H⋯N and N-H⋯N hydrogen bonds involving the hydr-oxy and amino groups generate S(6) and S(5) ring motifs, respectively. In the crystal structure, N-H⋯O hydrogen bonds link neighboring mol-ecules. Mol-ecules are also stacked in a head-to-tail fashion along the c axis through π-π inter-actions [centroid-centroid separation of 3.7357 (12) Å] and are further linked by weak inter-molecular C-H⋯π inter-actions, giving a zigzag arrangement along the b axis.

| S-EPMC2961787 | biostudies-literature

6-(3,5-Dimeth-oxy-benzyl-amino)-9-(oxan-2-yl)-9H-purine.

Project description:The mol-ecule of the title compound, C19H23N5O3, contains six-membered pyrimidine and five-membered imidazole rings merged into the essentially planar purine skeleton (r.m.s. deviation = 0.01 Å). In the crystal, pairs of N-H⋯N hydrogen bonds link mol-ecules into inversion dimers. The dimers are linked via C-H⋯O hydrogen bonds, forming double-stranded chains propagating along [001]. These chains are linked via C-H⋯π and parallel slipped π-π inter-actions [centroid-centroid distance = 3.467 (1) Å; slippage 0.519 Å], forming a three-dimensional network.

| S-EPMC3629587 | biostudies-literature

6-Benzyl-sulfanyl-9H-purine.

Project description:The phenyl ring of the title compound, C(12)H(10)N(4)S, a purine derivative, is oriented at a dihedral angle of 76.65 (6)° with respect to the purine ring system. An inter-molecular N-H⋯N hydrogen bonds stabilizes the crystal structure.

| S-EPMC2971978 | biostudies-literature

N'-(2-Methoxy-benzyl-idene)nicotinohydrazide.

Project description:The title compound, C(14)H(13)N(3)O(2), was prepared by the reaction of 2-methoxy-benzyaldehyde with nicotinic acid hydrazide in methanol. The dihedral angle between the benzene and pyridine rings is 5.9?(3)°. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, leading to the formation of chains along the c axis; adjacent chains are linked via C-H?O and C-H?N hydrogen bonds.

| S-EPMC2983706 | biostudies-literature

N'-(2-Hydr-oxy-4-methoxy-benzyl-idene)-4-methoxy-benzohydrazide.

Project description:In the title compound, C(16)H(16)N(2)O(4), the dihedral angle between the two benzene rings is 8.7?(2)°. The mol-ecule adopts an E configuration about the C=N bond, with an intra-molecular O-H?N hydrogen bond involving the hydr-oxy substituent and the hydrazide N atom. In the crystal structure, adjacent mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming chains propagating in the b-axis direction.

| S-EPMC2970121 | biostudies-literature

(E)-N'-(5-Bromo-2-methoxy-benzyl-idene)-3-methoxy-benzohydrazide.

Project description:In the title compound, C(16)H(15)BrN(2)O(3), there are two independent mol-ecules (A and B) in the asymmetric unit. The major difference between the two mol-ecules is the dihedral angle formed by the aromatic rings [72.6 (2) and 18.8 (2)° for A and B, respectively]. The benzohydrazide groups are not planar and the mol-ecules exist in trans configurations with respect to the methyl-idene units. The mol-ecular packing is stabilized by two inter-molecular N-H⋯O hydrogen bonds, forming chains parallel to the c axis. Only the A mol-ecules of the asymmetric unit are held together by π-π inter-actions [centroid-centroid distance = 3.714 (3) Å].

| S-EPMC2968868 | biostudies-literature

(E)-N'-(5-Bromo-2-methoxy-benzyl-idene)-4-methoxy-benzohydrazide.

Project description:In the title compound, C(16)H(15)BrN(2)O(3), the benzohydrazide group is not planar and the mol-ecule exists in a trans configuration with respect to the methyl-idene unit. The dihedral angle between the two substituted benzene rings is 75.6 (2)°. In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds involving carbonyl and amine functionalities, to form chains parallel to the c cell axis.

| S-EPMC2959874 | 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