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Crystal structure of methyl 1,3-benzoxazole-2-carboxyl-ate.

ABSTRACT: The title compound, C₉H₇NO₃, crystallizes in the monoclinic (P2₁) space group. In the crystal, the almost planar mol-ecules display a flattened herringbone arrangement. Stacking mol-ecules are slipped in the lengthwise and widthwise directions and are linked by π-π inter-actions [d(Cg⋯Cg = 3.6640 (11) Å]. The structure is characterized by strong C-H⋯N and weak C-H⋯O hydrogen bonds, and further stabilized by C-O⋯π inter-actions.

SUBMITTER: Poirot A

PROVIDER: S-EPMC8587983 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of methyl 1,3-benzoxazole-2-carboxyl-ate.

Poirot Alexandre A Saffon-Merceron Nathalie N Leygue Nadine N Benoist Eric E Fery-Forgues Suzanne S

Acta crystallographica. Section E, Crystallographic communications 20211008 Pt 11

The title compound, C9H7NO3, crystallizes in the monoclinic (P21) space group. In the crystal, the almost planar mol-ecules display a flattened herringbone arrangement. Stacking mol-ecules are slipped in the lengthwise and widthwise directions and are linked by π-π inter-actions [d(Cg⋯Cg = 3.6640 (11) Å]. The structure is characterized by strong C-H⋯N and weak C-H⋯O hydrogen bonds, and further stabilized by C-O⋯π inter-actio ...[more]

PMID: 34868639

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