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

Paswan S, Bharty MK, Kumari S, Gupta SK, Singh NK - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title compound, C12H9N3O2, was obtained as a cyclized oxa-diazole derivative from substituted thio-semicarbazide in the presence of manganese(II) acetate.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.

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Affiliation: Department of Chemistry, Banaras Hindu University, Varanasi 221 005, India.

ABSTRACT
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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Scheme showing the synthesis of the title compound.
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Fap1: Scheme showing the synthesis of the title compound.


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

Paswan S, Bharty MK, Kumari S, Gupta SK, Singh NK - Acta Crystallogr E Crystallogr Commun (2015)

Scheme showing the synthesis of the title compound.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645015&req=5

Fap1: Scheme showing the synthesis of the title compound.
Bottom Line: The title compound, C12H9N3O2, was obtained as a cyclized oxa-diazole derivative from substituted thio-semicarbazide in the presence of manganese(II) acetate.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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Banaras Hindu University, Varanasi 221 005, India.

ABSTRACT
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.

No MeSH data available.


Related in: MedlinePlus