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5-Nitro-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one.

ABSTRACT: In the two independent mol-ecules of the title compound, C(10)H(7)N(3)O(3), the nitro substitutent is twisted slightly with respect to the benzodiazol fused-ring system [dihedral angles = 4.9?(3) and 8.5?(1)°]. The two independent mol-ecules are disposed about a pseudo inversion center and are held together by N-H?O hydrogen bonds. The supramolecular dimer is essentially planar [dihedral angle between the fused rings = 2.0?(1)°]. Adjacent dimers are linked by acetyl-ene-nitro C-H?O inter-actions, generating a ribbon motif along (110).

SUBMITTER: Ouzidan Y 

PROVIDER: S-EPMC3344170 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

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5-Nitro-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one.

Ouzidan Younes Y   Kandri Rodi Youssef Y   Zouihri Hafid H   Essassi El Mokhtar el M   Ng Seik Weng SW  

Acta crystallographica. Section E, Structure reports online 20120331 Pt 4

In the two independent mol-ecules of the title compound, C(10)H(7)N(3)O(3), the nitro substitutent is twisted slightly with respect to the benzodiazol fused-ring system [dihedral angles = 4.9 (3) and 8.5 (1)°]. The two independent mol-ecules are disposed about a pseudo inversion center and are held together by N-H⋯O hydrogen bonds. The supramolecular dimer is essentially planar [dihedral angle between the fused rings = 2.0 (1)°]. Adjacent dimers are linked by acetyl-ene-nitro C-H⋯O inter-actions  ...[more]

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