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C-I?N short contacts as tools for the construction of the crystal packing in the crystal structure of 3,3'-(ethane-1,2-di-yl)bis-(6-iodo-3,4-di-hydro-2H-1,3-benzoxazine).

ABSTRACT: The asymmetric unit of the title compound, C18H18I2N2O2, consists of one half-mol-ecule, completed by the application of inversion symmetry. The mol-ecule adopts the typical structure for this class of bis-benxozazines, characterized by an anti orientation of the two benzoxazine rings around the central C-C bond. The oxazinic ring adopts a half-chair conformation. In the crystal, mol-ecules are linked by C-I?N short contacts [I?N = 3.378?(2)?Å], generating layers lying parallel to the bc plane.

SUBMITTER: Rivera A 

PROVIDER: S-EPMC5418779 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature

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C-I⋯N short contacts as tools for the construction of the crystal packing in the crystal structure of 3,3'-(ethane-1,2-di-yl)bis-(6-iodo-3,4-di-hydro-2<i>H</i>-1,3-benzoxazine).

Rivera Augusto A   Rojas Jicli José JJ   Ríos-Motta Jaime J   Bolte Michael M  

Acta crystallographica. Section E, Crystallographic communications 20170407 Pt 5

The asymmetric unit of the title compound, C<sub>18</sub>H<sub>18</sub>I<sub>2</sub>N<sub>2</sub>O<sub>2</sub>, consists of one half-mol-ecule, completed by the application of inversion symmetry. The mol-ecule adopts the typical structure for this class of bis-benxozazines, characterized by an <i>anti</i> orientation of the two benzoxazine rings around the central C-C bond. The oxazinic ring adopts a half-chair conformation. In the crystal, mol-ecules are linked by C-I⋯N short contacts [I⋯N = 3.  ...[more]

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