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Dipentyl 2,6-di-amino-benzo[1,2-b:4,5-b']di-furan-3,7-di-carboxyl-ate.

ABSTRACT: The title compound, C22H28N2O6, crystallizes with one half-mol-ecule in the independent unit, the mol-ecule being located on an inversion centre. The penthyl groups are in the all-trans conformation and an almost planar conformation of the whole mol-ecule is observed [maximum deviation from the least-squares plane through all non-H atoms is 0.0229?(17)?Å for an N atom]. The amino groups are involved in intra- and inter-molecular hydrogen bonds. Intra-molecular hydrogen bonding involving the amino group and ester carbonyl helps to lock the syn conformation of the ester with respect to the amino group. In the crystal, N-H?O hydrogen bonding involving the amino group and the furan and ester carbonyl O atoms self-assembles the mol-ecules into a two-dimensional hydrogen-bonded network parallel to (010) that displays inter-digital packing sustained by alk-yl-alkyl inter-actions.

SUBMITTER: Roviello G

PROVIDER: S-EPMC3790396 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Dipentyl 2,6-di-amino-benzo[1,2-b:4,5-b']di-furan-3,7-di-carboxyl-ate.

Roviello Giuseppina G Borbone Fabio F Carella Antonio A Roviello Giovanni N GN Tuzi Angela A

Acta crystallographica. Section E, Structure reports online 20130912 Pt 10

The title compound, C22H28N2O6, crystallizes with one half-mol-ecule in the independent unit, the mol-ecule being located on an inversion centre. The penthyl groups are in the all-trans conformation and an almost planar conformation of the whole mol-ecule is observed [maximum deviation from the least-squares plane through all non-H atoms is 0.0229 (17) Å for an N atom]. The amino groups are involved in intra- and inter-molecular hydrogen bonds. Intra-molecular hydrogen bonding involving the amin ...[more]

PMID: 24098215

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