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Crystal structures of two 4H-chromene derivatives: 2-amino-3-cyano-4-(3,4-di-chloro-phen-yl)-7-hy-droxy-4H-benzo[1,2-b]pyran 1,4-dioxane monosolvate and 2-amino-3-cyano-4-(2,6-di-chloro-phen-yl)-7-hy-droxy-4H-benzo[1,2-b]pyran.


ABSTRACT: In the title compounds, C16H9Cl2N2O2·C4H8O2 and C16H9Cl2N2O2, the bicyclic 4H-chromene cores are nearly planar with maximum deviations of 0.081?(2) and 0.087?(2)?Å. In both structures, the chromene derivative mol-ecules are linked into centrosymmetric dimers by pairs of N-H?O hydrogen bonds, forming R2 2 (16) motifs. These dimers are further linked in the 3,4-di-chloro-phenyl derivative by N-H?N hydrogen bonds into double layers parallel to (100) and in the 2,6-di-chloro-phenyl derivative by O-H?N hydrogen bonds into ribbons along the [10] direction. In the 3,4-di-chloro-phenyl derivative, the 1,4-dioxane solvent mol-ecules are connected to the chromene mol-ecules via O-H?O hydrogen bonds.

SUBMITTER: Silambarasan S 

PROVIDER: S-EPMC6775756 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature

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Crystal structures of two 4<i>H</i>-chromene derivatives: 2-amino-3-cyano-4-(3,4-di-chloro-phen-yl)-7-hy-droxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran 1,4-dioxane monosolvate and 2-amino-3-cyano-4-(2,6-di-chloro-phen-yl)-7-hy-droxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran.

Silambarasan S S   Nasser A Jamal Abdul AJA   Mohandas T T  

Acta crystallographica. Section E, Crystallographic communications 20190927 Pt 10


In the title compounds, C<sub>16</sub>H<sub>9</sub>Cl<sub>2</sub>N<sub>2</sub>O<sub>2</sub>·C<sub>4</sub>H<sub>8</sub>O<sub>2</sub> and C<sub>16</sub>H<sub>9</sub>Cl<sub>2</sub>N<sub>2</sub>O<sub>2</sub>, the bicyclic 4<i>H</i>-chromene cores are nearly planar with maximum deviations of 0.081 (2) and 0.087 (2) Å. In both structures, the chromene derivative mol-ecules are linked into centrosymmetric dimers by pairs of N-H⋯O hydrogen bonds, forming <i>R<sup>2</sup> <sub>2</sub></i> (16) motifs. Th  ...[more]

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