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Crystal structure of 7-hy-droxy-8-[(4-methyl-piperazin-1-yl)meth-yl]-2H-chromen-2-one.

ABSTRACT: In the title compound, C₁₅H₁₈N₂O₃, the coumarin ring is essentially planar, with an r.m.s. deviation of 0.012?Å. An intra-molecular O-H?N hydrogen bond forms an S(6) ring motif. The piperazine ring adopts a chair conformation. In the crystal, a C-H?O hydrogen bond generates a C(4) chain motif running along the c axis. The chain structure is stabilized by a C-H?? inter-action. The chains are linked by ?-? inter-actions [centroid-centroid distance of 3.5745?(11)?Å], forming a sheet structure parallel to the bc plane.

SUBMITTER: Kubono K

PROVIDER: S-EPMC5137600 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 7-hy-droxy-8-[(4-methyl-piperazin-1-yl)meth-yl]-2H-chromen-2-one.

Kubono Koji K Kise Ryuma R Kashiwagi Yukiyasu Y Tani Keita K Yokoi Kunihiko K

Acta crystallographica. Section E, Crystallographic communications 20161104 Pt 12

In the title compound, C15H18N2O3, the coumarin ring is essentially planar, with an r.m.s. deviation of 0.012 Å. An intra-molecular O-H⋯N hydrogen bond forms an S(6) ring motif. The piperazine ring adopts a chair conformation. In the crystal, a C-H⋯O hydrogen bond generates a C(4) chain motif running along the c axis. The chain structure is stabilized by a C-H⋯π inter-action. The chains are linked by π-π inter-actions [centroid-cen ...[more]

PMID: 27980822

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