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Crystal structure and Hirshfeld surface analysis of ethyl (E)-4-[(4-hy-droxy-3-meth-oxy-5-nitro-benzyl-idene)amino]-benzoate.

ABSTRACT: The title Schiff base compound, C17H16N2O6, has an E configuration with respect to the C=N bond, with a dihedral angle between the two benzene rings of 31.90?(12)°. There is an intra-molecular O-H?Onitro hydrogen bond present forming an S(6) ring motif. In the crystal, mol-ecules are linked by pairs of O-H?O hydrogen bonds, forming inversion dimers enclosing an R22(4) ring motif. The dimers are linked about an inversion centre by pairs of C-H?O hydrogen bonds, which enclose R22(22) loops, forming chains propagating along the [10] direction. Hirshfeld surface analysis and fingerprint plots show enrichment ratios for the H?H, O?H and C?H contacts, indicating a high propensity of such inter-actions in the crystal. Both the nitro group and the CH3-CH2-O- group are positionally disordered.

SUBMITTER: Victoria AS 

PROVIDER: S-EPMC6073003 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of ethyl (<i>E</i>)-4-[(4-hy-droxy-3-meth-oxy-5-nitro-benzyl-idene)amino]-benzoate.

Victoria Antony Samy AS   Sivajeyanthi Palaniyappan P   Elangovan Natarajan N   Balasubramani Kasthuri K   Kolochi Thathan T   Thanikasalam Kanagasabapathy K  

Acta crystallographica. Section E, Crystallographic communications 20180710 Pt 8

The title Schiff base compound, C<sub>17</sub>H<sub>16</sub>N<sub>2</sub>O<sub>6</sub>, has an <i>E</i> configuration with respect to the C=N bond, with a dihedral angle between the two benzene rings of 31.90 (12)°. There is an intra-molecular O-H⋯O<sub>nitro</sub> hydrogen bond present forming an <i>S</i>(6) ring motif. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming inversion dimers enclosing an <i>R</i><sub>2</sub><sup>2</sup>(4) ring motif. The dimers are link  ...[more]

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