Crystal structure of 3-methyl-2-oxo-2H-chromen-7-yl propionate, C13H12O4
نویسندگان
چکیده
منابع مشابه
Crystal structure of 2-oxo-2H-chromen-3-yl propanoate
In the title compound, C12H10O4, the dihedral angle between the coumarin ring system [maximum deviation = 0.033 (8) Å] and the propionate side chain is 78.48 (8)°. In the crystal, weak C-H⋯O hydrogen bonds generate inversion dimers and and C-H⋯π and π-π inter-actions link the dimers into a three-dimensional network. A quantum chemical calculation is in good agreement with the observed structure.
متن کاملCrystal structure of (7-methyl-2-oxo-2H-chromen-4-yl)methyl piperidine-1-carbodithioate
In the title compound, C17H19NO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.0383 (28) Å, and the piperidine ring adopts a chair conformation. The 2H-chromene ring makes dihedral angles of 32.89 (16) and 67.33 (8)°, respectively, with the mean planes of the piperidine ring and the carbodi-thio-ate group. In the crystal, C-H⋯O and weak C-H⋯S hydrogen bonds link...
متن کامل2-Oxo-2H-chromen-4-yl propionate
In the title compound, C12H10O4, the atoms of the 2-oxo-2H-chromene ring system and the non-H atoms of the 4-substituent all lie on a crystallographic mirror plane. The mol-ecular structure exhibits an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, mol-ecules form R 3 (2)(12) trimeric units via C-H⋯O inter-actions which propagate into layers parallel to the a...
متن کاملCrystal structure of methyl 2-(7-hy-droxy-2-oxo-2H-chromen-4-yl)acetate.
In the title coumarin derivative, C12H10O5, the fused ring system is almost planar (r.m.s deviation = 0.016 Å). The Car-C-C=O torsion angle of the side chain is -8.4 (2)° In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, generating C(8) chains propagating in the [100] direction. The chains are cross-linked by weak C-H⋯O inter-actions, thereby generating undulating (001) sheets.
متن کاملCrystal structure of (7-chloro-2-oxo-2H-chromen-4-yl)methyl N,N-dimethylcarbamodithioate
In the title compound, C13H12Cl N O2S2, the 2H-chromene ring system is almost planar, with a maximum deviation of 0.005 (2) Å. The packing features C-H⋯S hydrogen bonds and π-π inter-actions between fused benzene rings of chromene [shortest centroid-centroid distances = 3.6553 (13) and 3.5551 (13) Å].
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ژورنال
عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures
سال: 2019
ISSN: 2197-4578,1433-7266
DOI: 10.1515/ncrs-2018-0281