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4-Chloro-2,6-dinitro-phenol.

ABSTRACT: The aromatic ring of the title compound, C(6)H(3)ClN(2)O(5), is almost planar (r.m.s. deviation = 0.007?Å); one nitro substituent is nearly coplanar with the ring [dihedral angle = 3(1)°], whereas the other is twisted [dihedral angle = 36?(1)°]. The phenol OH group is intra-molecularly hydrogen bonded to the nitro group that is coplanar with the ring, generating an S(6) graph-set motif.

SUBMITTER: Ng SW

PROVIDER: S-EPMC3011538 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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4-Chloro-2,6-dinitro-phenol.

Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20101117 Pt 12

The aromatic ring of the title compound, C(6)H(3)ClN(2)O(5), is almost planar (r.m.s. deviation = 0.007 Å); one nitro substituent is nearly coplanar with the ring [dihedral angle = 3(1)°], whereas the other is twisted [dihedral angle = 36 (1)°]. The phenol OH group is intra-molecularly hydrogen bonded to the nitro group that is coplanar with the ring, generating an S(6) graph-set motif. ...[more]

PMID: 21589498

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