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Crystal structure of 2-meth-oxy-1-nitro-naphthalene.

ABSTRACT: The asymmetric unit of the title compound, C11H9NO3, contains two mol-ecules, A and B. In mol-ecule A, the dihedral angle between the planes of the naphthalene ring system (r.m.s. deviation = 0.003?Å) and the nitro group is 89.9?(2)°, and the C atom of the meth-oxy group deviates from the naphthyl plane by 0.022?(2)?Å. Equivalent data for mol-ecule B are 0.008?Å, 65.9?(2)° and -0.198?(2)?Å, respectively. In the crystal, mol-ecules are linked by weak C-H?O inter-actions, forming [100] chains of alternating A and B mol-ecules. Weak aromatic ?-? stacking contacts, with a range of centroid-centroid distances from 3.5863?(9) to 3.8048?(9)?Å, are also observed.

SUBMITTER: Yassine H

PROVIDER: S-EPMC4647346 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 2-meth-oxy-1-nitro-naphthalene.

Yassine Hasna H Khouili Mostafa M El Ammari Lahcen L Saadi Mohamed M Ketatni El Mostafa el M

Acta crystallographica. Section E, Crystallographic communications 20150912 Pt 10

The asymmetric unit of the title compound, C11H9NO3, contains two mol-ecules, A and B. In mol-ecule A, the dihedral angle between the planes of the naphthalene ring system (r.m.s. deviation = 0.003 Å) and the nitro group is 89.9 (2)°, and the C atom of the meth-oxy group deviates from the naphthyl plane by 0.022 (2) Å. Equivalent data for mol-ecule B are 0.008 Å, 65.9 (2)° and -0.198 (2) Å, respectively. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming [100] chains of a ...[more]

PMID: 26594431

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