The macrocycle of the title compound, C(36)H(24)N(4)O(3)S·2CHCl(3), contains a rigid framework with the nitro-gen and oxygen heteroatoms pointing in towards the center of the macrocyclic cavity. The macrocycle is essentially planar (r.m.s. deviation = 0.027 Å) except for the thio-phene ring. The dihedral angle between the thio-phene ring plane and the mean plane of the central macrocyclic core including all atoms except sulfur is 21.6 (1)°. Four intra-molecular hydrogen bonds occur: two are between the amide hydrogen atoms and the Schiff base nitro-gen atoms, while the others are between the amide hydrogen atoms and the sulfur atom of the thio-phene. The two solvate chloro-form mol-ecules are bound to the carbonyl oxygen atoms of the ligand by weak C-H⋯O hydrogen bonding. In addition, the structure reveals inter-molecular Cl⋯Cl close contacts [3.308 (2), 3.404 (2) and 3.280 (2) Å] between the chloro-form solvate mol-ecules. In the crystal, the macrocycles form layers parallel to (101), with an inter-layer distance of 3.362 (3) Å. This short distance is determined by the stacking inter-actions between the amide carbonyl and imine fragments of neighboring ligands.
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http://dx.doi.org/10.1107/S1600536810006173 | DOI Listing |
IUCrdata
November 2024
School of Chemistry and Physics, University of KwaZulu-Natal, Westville campus, Private bag X54001, Durban, 4000, South Africa.
The crystal structure of the title compound, CHNOS, reveals two symmetrically independent mol-ecules within the asymmetric unit. Each mol-ecule contains a chromenone core attached to a 2-thio-phene ring, cyano, and amino groups. The 2-thio-phene ring of one of the two mol-ecules in the asymmetric unit was found to be disordered over two positions, with the major component having a site occupancy factor of 0.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
May 2024
Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal.
In the title compound, CHNOS, the mol-ecular conformation is stable with the intra-molecular O-H⋯O hydrogen bond forming a (7) ring motif. In the crystal, mol-ecules are connected by C-H⋯O hydrogen bonds, forming (8) chains running along the -axis direction. Cohesion of the packing is provided by weak van der Waals inter-actions between the chains.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
April 2024
Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, 1148, Baku, Azerbaijan.
In the title compound, CHBrOS, mol-ecules are connected by inter-molecular C-H⋯S hydrogen bonds with (10) ring motifs, forming ribbons along the -axis direction. C-H⋯π inter-actions consolidate the ribbon structure while van der Waals forces between the ribbons ensure the cohesion of the crystal structure. According to a Hirshfeld surface analysis, H⋯H (40.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
January 2024
Department of Chemistry, M.M.A.M.C (Tribhuvan University) Biratnagar, Nepal.
In the title compound, CHNS, the asymmetric unit comprises two similar mol-ecules ( and ). In mol-ecule , the central thio-phene ring makes dihedral angles of 89.96 (12) and 57.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
July 2023
Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai-600 025, Tamilnadu, India.
In the title compounds, CHFNOS () and CHFNOS (), the benzo-thio-phene rings are essentially planar with maximum deviations of 0.009 (1) and 0.001 (1) Å for the carbon and sulfur atom in compounds and , respectively.
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