Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-((Meth-oxy-imino)-{2-[(2-methyl-phen-oxy)meth-yl]phen-yl}meth-yl)-N-phenyl-1,3,4-oxa-diazol-2-amine.

ABSTRACT: In the title mol-ecule, C24H22N4O3, the plane of the oxa-diazole ring forms a dihedral angle of 32.41?(12)° with that of the phenyl ring and dihedral angles of 74.51?(10) and 56.38?(10)° with the planes of the benzene rings. In the crystal, pairs of N-H?N hydrogen bonds link molecules into inversion dimers featuring R 2 (2)(8) graph-set motifs.

SUBMITTER: Sharma DK

PROVIDER: S-EPMC3998470 | biostudies-other | 2014 Mar

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

5-((Meth-oxy-imino)-{2-[(2-methyl-phen-oxy)meth-yl]phen-yl}meth-yl)-N-phenyl-1,3,4-oxa-diazol-2-amine.

Sharma Devinder K DK Shripanavar Chetan S CS Anthal Sumati S Gupta Vivek K VK Kant Rajni R

Acta crystallographica. Section E, Structure reports online 20140226 Pt 3

In the title mol-ecule, C24H22N4O3, the plane of the oxa-diazole ring forms a dihedral angle of 32.41 (12)° with that of the phenyl ring and dihedral angles of 74.51 (10) and 56.38 (10)° with the planes of the benzene rings. In the crystal, pairs of N-H⋯N hydrogen bonds link molecules into inversion dimers featuring R 2 (2)(8) graph-set motifs. ...[more]

PMID: 24765044

Similar Datasets

5-(5'-Fluoro-2'-meth-oxy-biphenyl-3-yl)-1,3,4-oxa-diazol-2-amine.

Project description:In the title compound, C15H12FN3O2, the dihedral angles between the central benzene ring and the pendant benzene and oxa-diazole rings are 45.05?(13) and 15.60?(14)°, respectively. The C atom of the meth-oxy group is roughly coplanar with its attached ring [displacement = 0.178?(4)?Å]. In the crystal, N-H?N hydrogen bonds link the mol-ecules into [010] chains. Weak C-H?? inter-actions are also observed.

| S-EPMC3885053 | biostudies-literature

8-{[3-(3-Meth-oxy-phen-yl)-1,2,4-oxa-diazol-5-yl]meth-oxy}quinoline monohydrate.

Project description:In the title hydrate, C19H15N3O3·H2O, the three aromatic groups in the quinoline derivative are close to coplanar: the central oxa-diazole fragment makes dihedral angles of 15.7?(2)° with the benzene ring and 5.30?(14)° with the quinoline ring system. In the crystal, the organic mol-ecules are connected with water mol-ecules by pairs of O-H?N hydrogen bonds involving the quinoline and oxa-diazole N atoms. The mol-ecules form stacks along the a axis, neighboring mol-ecules within each stack being related by inversion and the shortest distance between the centroids of the oxa-diazole and pyridine rings being 3.500?(2)?Å. Mol-ecules from neighboring stacks are linked by weak C-H?O hydrogen bonds, forming a three-dimensional structure.

| S-EPMC3648286 | biostudies-literature

(2Z)-N-(4-Meth-oxy-phen-yl)-2-(4-meth-oxy-phenyl-imino)-2H-1,4-benzoxazin-3-amine.

Project description:In the crystal structure of the title compound, C(22)H(19)N(3)O(3), inter-molecular C-H?O hydrogen bonds link the mol-ecules into a zigzag chain parallel to the face diagonal of the ac plane. The meth-oxy phenyl rings make a dihdral angle of 32.38?(7)° and form dihedral angles of 0.66?(8) and 24.17?(7)° with the fused benzooxazine ring system.

| S-EPMC3050339 | biostudies-literature

Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxa-diazol-2-amine.

Project description:The title compound, C12H9N3O2, was obtained as a cyclized oxa-diazole derivative from substituted thio-semicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76?(2) and 0.24?(2). The dihedral angles between the central oxa-diazole ring and the pendant phenyl ring and furan ring (major disorder component) are 3.34?(18) and 5.7?(6)°, respectively. A short intra-molecular C-H?O contact generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H?N hydrogen bonds generate R 2 (2)[8] loops. The dimers are linked by C-H?? and ?-? inter-actions [range of centroid-centroid distances = 3.291?(2)-3.460?(8)?Å], generating a three-dimensional network.

| S-EPMC4645015 | biostudies-literature

8-[(3-Phenyl-1,2,4-oxa-diazol-5-yl)meth-oxy]quinoline monohydrate.

Project description:In the title compound, C18H13N3O2·H2O, the oxa-diazole ring forms dihedral angles 7.21?(10) and 21.25?(11)° with the quinoline and benzene rings, respectively. The crystal structure features O-H?N hydrogen bonds and is further consolidated by C-H?O hydrogen-bonding inter-actions involving the water molecule of hydration.

| S-EPMC3772468 | biostudies-literature

2-(5-Methyl-1,3,4-oxa-diazol-2-yl)phenyl acetate.

Project description:In the title compound, C11H10N2O3, which is a potential bioactive compound, the benzene and oxa-diazole rings are approximately coplanar, with an inter-ring dihedral angle of 4.14?(2)°, while the ester plane is rotated out of the benzene plane [dihedral angle = 82.69?(9)°]. In the crystal, the mol-ecules form layers down the a axis with weak ?-? inter-actions between the oxa-diazole and benzene rings [minimum ring centroid separation = 3.7706?(14)?Å].

| S-EPMC4011247 | biostudies-literature

{4-[5-(4-tert-Butyl-phen-yl)-1,3,4-oxa-diazol-2-yl]phen-yl}methanol.

Project description:In the title compound, C(19)H(20)N(2)O(2), the 1,3,4-oxadiazole ring is almost coplanar with the two neighboring benzene rings [dihedral angles = 3.76?(4) and 5.49?(4)°]. In the crystal, mol-ecules are connected by strong inter-molecular O-H?N hydrogen bonds, forming chains parallel to the c axis.

| S-EPMC3051771 | biostudies-literature

5-(2-Bromo-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:In the title compound, C(8)H(6)BrN(3)S, the thia-diazole ring is oriented at a dihedral angle of 48.35?(3)° with respect to the bromo-phenyl ring. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules.

| S-EPMC2959338 | biostudies-literature

5-(2-Methyl-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The asymmetric unit of the title compound, C(9)H(9)N(3)S, contains two crystallographically independent mol-ecules, in which the thia-diazole and tolyl rings are oriented at dihedral angles of 32.25?(3) and 74.50?(3)°. An intra-molecular C-H?S inter-action results in the formation of a five-membered ring. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules into chains along the a axis. A ?-? contact between the thia-diazole rings [centroid-centroid distance = 3.910?(3)?Å] may further stabilize the structure. There is also a weak C-H?? inter-action.

| S-EPMC2977661 | biostudies-literature

5-(4-Phenoxy-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(14)H(11)N(3)OS, was synthesized by the reaction of phenoxy-benzoic acid and thio-semicarbazide. The thia-diazole ring makes dihedral angles of 0.99?(16) and 86.53?(18)°, respectively, with the benzene and phenyl rings. The dihedral angle between the benzene and phenyl rings is 87.17?(19)°. Intra-molecular C-H?S contacts are present. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules.

| S-EPMC2977727 | 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