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Crystal structure and Hirshfeld surface analysis of (E)-2-{[(2-iodo-phen-yl)imino]-meth-yl}-6-methyl-phenol.

ABSTRACT: The title compound, C14H12INO, was synthesized by condensation of 2-hy-droxy-3-methyl-benzaldehyde and 2-iodo-aniline, and crystallizes in the ortho-rhom-bic space group P212121. The 2-iodo-phenyl and benzene rings are twisted with respect to each other, making a dihedral angle of 31.38?(2)°. The mol-ecular structure is stabilized by an O-H?N hydrogen bond, forming an S(6) ring motif. In the crystal, mol-ecules are linked by C-H?? inter-actions, resulting in the formation of sheets along the a-axis direction. Within the sheets, very weak ?-? stacking inter-actions lead to additional stabilization. The Hirshfeld surface analysis and fingerprint plots reveal that the crystal structure is dominated by H?H (37.1%) and C?H (30.1%) contacts. Hydrogen bonding and van der Waals inter-actions are the dominant inter-actions in the crystal packing. The crystal studied was refined as a two-component inversion twin.

SUBMITTER: Kansiz S 

PROVIDER: S-EPMC7534256 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-{[(2-iodo-phen-yl)imino]-meth-yl}-6-methyl-phenol.

Kansiz Sevgi S   Agar Tuggan T   Dege Necmi N   Dogan Onur Erman OE   Ahmed Ruby R   Saif Eiad E  

Acta crystallographica. Section E, Crystallographic communications 20200904 Pt 10

The title compound, C<sub>14</sub>H<sub>12</sub>INO, was synthesized by condensation of 2-hy-droxy-3-methyl-benzaldehyde and 2-iodo-aniline, and crystallizes in the ortho-rhom-bic space group <i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>. The 2-iodo-phenyl and benzene rings are twisted with respect to each other, making a dihedral angle of 31.38 (2)°. The mol-ecular structure is stabilized by an O-H⋯N hydrogen bond, forming an <i>S</i>(6) ring motif. In the crystal, mol-ecules are linked by C-  ...[more]

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