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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-literature | 2014 Mar

REPOSITORIES: biostudies-literature

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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

Crystal structures of 3-meth-oxy-4-{[5-(4-meth-oxy-phen-yl)-1,3,4-oxa-diazol-2-yl]meth-oxy}benzo-nitrile and N-(4-{[5-(4-chloro-phen-yl)-1,3,4-oxa-diazol-2-yl]meth-oxy}phen-yl)acetamide.

Project description:The title compounds, C18H15N3O4 and C17H14ClN3O3, are heterocyclic 1,3,4-oxa-diazole derivatives which differ from each other in the groups attached to the carbon atoms: a meth-oxy-phenyl ring and a benzo-nitrile group in (I) and a chloro-phenyl ring and an acetamide group in (II). Short intra-molecular C-H⋯O hydrogen bonds occur in both mol-ecules. The crystal structure of (I) features C-H⋯N hydrogen bonds, while in the crystal structure of (II), N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds are observed.

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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⋯π inter-actions are also observed.

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5-(2-Meth-oxy-phen-yl)-1,3,4-thia-diazol-2-yl 2-meth-oxy-benzoate hemihydrate.

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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.

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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.

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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⋯π and π-π inter-actions [range of centroid-centroid distances = 3.291 (2)-3.460 (8) Å], generating a three-dimensional network.

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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.

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5-([(Z)-Meth-oxy-imino]{2-[(2-methyl-phen-oxy)meth-yl]phen-yl}meth-yl)-1,3,4-oxa-diazole-2(3H)-thione dimethyl sulfoxide monosolvate.

Project description:The title compound, C18H17N3O3S·C2H6OS, crystallizes in the monoclinic space group P21 /c. In the crystal, C 1 1(9) chains of C-H⋯O inter-actions are formed, propogating in the c-axis direction. The N-H hydrogen atom forms a strong hydrogen bond with the oxygen atom of a DMSO solvate mol-ecule.

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5-({[(E)-Benzyl-idene-amino]-oxy}meth-yl)-1,3,4-thia-diazol-2-amine.

Project description:In the mol-ecule of the title compound, C(10)H(10)N(4)OS, the configuration about the C=N double bond is E. The dihedral angle between the thia-diazole and benzene rings is 81.1 (1)°. In the crystal, mol-ecules are linked by N-H⋯N and C-H⋯O hydrogen bonds to form a two-dimensional network parallel with the bc plane.

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CoII-catalysed synthesis of N-(4-meth-oxy-phen-yl)-5-(pyridin-4-yl)-1,3,4-oxa-diazol-2-amine hemi-hydro-chloride monohydrate.

Project description:The title compound, C14H12N4O2·0.5HCl·H2O or H(C14H12N4O2)2 +·Cl-·2H2O, arose from the unexpected cyclization of isonicotinoyl-N-phenyl hydrazine carbo-thio-amide catalysed by cobalt(II) acetate. The organic mol-ecule is almost planar and a symmetric N⋯H+⋯N hydrogen bond links two of them together, with the H atom lying on a crystallographic twofold axis. The extended structure features N-H⋯O and O-H⋯Cl hydrogen bonds, which generate [001] chains. Weak C-H⋯Cl inter-actions cross-link the chains. The chloride ion has site symmetry 2. The major contributions to the Hirshfeld surface are from H⋯H (47.1%), Cl⋯H/H⋯Cl (total 10.8%), O⋯H/H⋯O (7.4%) and N⋯H/H⋯N (6.7%) inter-actions.

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