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Crystal structure of (tert-butyl-carbamo-yl)(4-chloro-2-oxo-2H-chromen-3-yl)methyl acetate.

ABSTRACT: In the title compound, C17H18ClNO5, which was synthesized by reacting 4-chloro-3-formyl-coumarin, acetic acid and tert-butyl isocyanide, the acetamido side chain is convoluted with ring-to-side chain C-C-C-C, C-C-C-N and C-C-N-C torsion angles of -123.30?(14), -135.73?(12) and 176.10?(12)°, respectively. In the crystal, N-H?O and weak C-H?O hydrogen bonds are present, which together with ?-? coumarin-ring inter-actions [ring centroid separations = 3.4582?(8) and 3.6421?(9)?Å], give rise to a layered structure lying parallel to (001).

SUBMITTER: Moriguchi T

PROVIDER: S-EPMC4719945 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of (tert-butyl-carbamo-yl)(4-chloro-2-oxo-2H-chromen-3-yl)methyl acetate.

Moriguchi Tetsuji T Jalli Venkataprasad V Krishnamurthy Suvratha S Tsuge Akihiko A Yoja Kenji K

Acta crystallographica. Section E, Crystallographic communications 20151128 Pt 12

In the title compound, C17H18ClNO5, which was synthesized by reacting 4-chloro-3-formyl-coumarin, acetic acid and tert-butyl isocyanide, the acetamido side chain is convoluted with ring-to-side chain C-C-C-C, C-C-C-N and C-C-N-C torsion angles of -123.30 (14), -135.73 (12) and 176.10 (12)°, respectively. In the crystal, N-H⋯O and weak C-H⋯O hydrogen bonds are present, which together with π-π coumarin-ring inter-actions [ring centroid separations = 3.4582 (8) and 3.6421 (9) Å], give rise to a lay ...[more]

PMID: 26870464

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