Dataset Information
2,4-Diiodo-3-nitro-anisole.
Ontology highlight
ABSTRACT: In the title compound (systematic name
1,3-diiodo-4-meth-oxy-2-nitro-benzene), C(7)H(5)I(2)NO(3), the dihedral angle between the benzene ring and the nitro group is 88.0?(3)°, and the methyl group lies almost in the same plane as the ring [deviation = 0.034?(6)?Å]. In the crystal, aromatic ?-? stacking occurs between inversion-related rings [centroid-centroid separation = 3.865?(3)?Å and slippage = 0.642?Å]. A possible weak C-I?? inter-action occurs [I?? = 3.701?(2)?Å and C-I?? = 130.18?(13)°], but there are no significant inter-molecular I?I contacts.
SUBMITTER: Li X
PROVIDER: S-EPMC3344609 | biostudies-literature | 2012 May
REPOSITORIES: biostudies-literature
Publications
2,4-Diiodo-3-nitro-anisole.
Acta crystallographica. Section E, Structure reports online 20120421 Pt 5
<h4>In the title compound (systematic name</h4>1,3-diiodo-4-meth-oxy-2-nitro-benzene), C(7)H(5)I(2)NO(3), the dihedral angle between the benzene ring and the nitro group is 88.0 (3)°, and the methyl group lies almost in the same plane as the ring [deviation = 0.034 (6) Å]. In the crystal, aromatic π-π stacking occurs between inversion-related rings [centroid-centroid separation = 3.865 (3) Å and slippage = 0.642 Å]. A possible weak C-I⋯π inter-action occurs [I⋯π = 3.701 (2) Å and C-I⋯π = 130.18 ...[more]