Abstract
The molecular conformation of the title compound, C41H29ClN4O3S, is stabilized by intramolecular C—H⋯O and C—H⋯Cl hydrogen bonds. The thiazole ring adopts an envelope conformation with the N atom as the flap, while the pyrrolidine ring has a twisted conformation on the N—C bond involving the spiro C atom. The β lactam ring makes dihedral angles of 39.74 (15) and 16.21 (16)° with the mean planes of the thiazole and pyrrolidine rings, respectively. The thiazole ring mean plane makes dihedral angles of 23.79 (13) and 70.88 (13) ° with the pyrrolidine and cyclopentane rings, respectively, while the pyrrolidine ring makes a dihedral angle of 85.63 (13)° with the cyclopentane ring. The O atom attached to the β lactam ring deviates from its mean plane by 0.040 (2) Å, while the O atom attached to the cyclopentane ring deviates from its mean plane by 0.132 (2) Å. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming chains along [010], and C—H⋯π and π-π interactions [centroid-centroid distance = 3.6928 (17) Å].
Highlights
The molecular conformation of the title compound, C41H29ClN4O3S, is stabilized by intramolecular C—HÁ Á ÁO and C—HÁ Á ÁCl hydrogen bonds
The thiazole ring adopts an envelope conformation with the N atom as the flap, while the pyrrolidine ring has a twisted conformation on the N—C bond involving the spiro C atom
The O atom attached to the lactam ring deviates from its mean plane by 0.040 (2) A, while the O atom attached to the cyclopentane ring deviates from its mean plane by 0.132 (2) A
Summary
The molecular conformation of the title compound, C41H29ClN4O3S, is stabilized by intramolecular C—HÁ Á ÁO and C—HÁ Á ÁCl hydrogen bonds. The thiazole ring adopts an envelope conformation with the N atom as the flap, while the pyrrolidine ring has a twisted conformation on the N—C bond involving the spiro C atom. The lactam ring makes dihedral angles of 39.74 (15) and 16.21 (16) with the mean planes of the thiazole and pyrrolidine rings, respectively. The thiazole ring mean plane makes dihedral angles of 23.79 (13) and 70.88 (13) with the pyrrolidine and cyclopentane rings, respectively, while the pyrrolidine ring makes a dihedral angle of 85.63 (13) with the cyclopentane ring. Molecules are linked by C—HÁ Á ÁO hydrogen bonds, forming chains along [010], and C—HÁ Á Á and - interactions [centroid-centroid distance = 3.6928 (17) A ]
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More From: Acta Crystallographica Section E Structure Reports Online
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