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Tert-Butyl 2-(4-nitro-phen-oxy)acetate.

ABSTRACT: In the title mol-ecule, C(12)H(15)NO(5), the nitro-phen-oxy portion is approximately planar (r.m.s. deviation = 0.034?Å) and makes an angle of 84.8?(1)° with respect to the -CH(2)-C(=O)-O-C fragment. In the crystal, ?-? stacking is observed between nearly parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.6806?(10)?Å. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

SUBMITTER: Ali Q

PROVIDER: S-EPMC3051522 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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tert-Butyl 2-(4-nitro-phen-oxy)acetate.

Ali Qamar Q Anis Itrat I Raza Shah M M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110129 Pt 2

In the title mol-ecule, C(12)H(15)NO(5), the nitro-phen-oxy portion is approximately planar (r.m.s. deviation = 0.034 Å) and makes an angle of 84.8 (1)° with respect to the -CH(2)-C(=O)-O-C fragment. In the crystal, π-π stacking is observed between nearly parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.6806 (10) Å. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure. ...[more]

PMID: 21523180

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