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Crystal structure and Hirshfeld surface analysis of (E)-N-(4-propyl-oxybenzyl-idene)benzo[d]thia-zol-2-amine.

ABSTRACT: The title compound, C17H16N2OS, was synthesized by a condensation reaction between 2-amino benzo-thia-zole and 4-N-propoxybenzaldehyde. The benzo[d]thia-zole ring system is nearly planar (r.m.s. deviation 0.0088?Å) and makes a dihedral angle of 3.804?(12)° with the phenyl ring. The configuration about the C=N double bond is E. In the crystal structure, pairs of C-H?N hydrogen bonds and C-H?? inter-actions link the mol-ecules into inversion dimers with an R 2 2(16) ring motif. These dimers are additionally linked by weak ?-? stacking inter-actions between the phenyl rings, leading to a layered arrangement parallel to (010). Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the packing arrangement are from H?H (47.9%) and C?H/H?C (25.6%) inter-actions.

SUBMITTER: Sheakh Mohamad RA

PROVIDER: S-EPMC7534222 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of (E)-N-(4-propyl-oxybenzyl-idene)benzo[d]thia-zol-2-amine.

Sheakh Mohamad Ropak A RA Hamad Wali M WM Aziz Hashim J HJ Dege Necmi N

Acta crystallographica. Section E, Crystallographic communications 20200904 Pt 10

The title compound, C17H16N2OS, was synthesized by a condensation reaction between 2-amino benzo-thia-zole and 4-N-propoxybenzaldehyde. The benzo[d]thia-zole ring system is nearly planar (r.m.s. deviation 0.0088 Å) and makes a dihedral angle of 3.804 (12)° with the phenyl ring. The configuration about the C=N double bond is E. In the crystal structure, pairs of C-H⋯N hydrogen bonds and C-H⋯π inter-actions link the mol-ecules into inversion di ...[more]

PMID: 33117570

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