metal-organic compounds
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In the title compound, [Fe(C5H5)(C16H15O3)], the cyclopentadienyl rings are in an eclipsed conformation and the benzene ring makes dihedral angles of 10.84 (9) and 12.35 (9)°, respectively, with the substituted and unsubstituted cyclopentadienyl rings. In the crystal, molecules form inversion dimers through pairs of O—HO hydrogen bonds. Weak C—HO hydrogen bonds are observed between the dimers.
organic compounds
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In the title compound, C28H24ClNO3, the dihedral angles between the central benzene ring and the indole ring system and the chlorobenzene ring are 70.81 (5) and 78.62 (5)°, respectively. The molecular structure is stabilized by a weak intramolecular C—HO interaction. In the crystal, pairs of C—HO hydrogen bonds link the molecules into inversion dimers with an R22(14) motif.
organic compounds
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The title compound, C28H26O5, is the Diels–Alder adduct from 1,3-diphenylbenzo[c]furan and diethyl maleate. The molecule comprises of a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a boat conformation. The dihedral angle between phenyl substituents in the 1,8-positions is 55.1 (1)°. The ethyl groups are disordered over two sets of sites, with occupancy ratios of 0.648 (9):0.352 (9) and 0.816 (1):0.184 (1). In the crystal, pairs of C—Hπ interactions link the molecules into inversion dimers.
metal-organic compounds
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In the title compound, [Fe(C5H5)(C14H10NO3)], the cyclopentadienyl rings are in an eclipsed conformation and the pyran ring adopts a half-chair conformation. The mean plane of the pyran ring makes dihedral angles of 79.33 (1) and 80.73 (1)°, respectively, with the substituted and unsubstituted cyclopentadienyl rings. In the crystal, pairs of C—HO hydrogen bonds link the molecules into inversion dimers with R22(16) motifs.
organic compounds
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The title compound, C25H20O5S, is the product of a Diels–Alder reaction. The molecule consists of a fused tricyclic system containing two five-membered rings and one six-membered ring. The five-membered rings both show an envelope conformation with the O atom at the flap, whereas the six-membered ring adopts a boat conformation. The thiophene ring is disordered over two sets of sites with an occupancy ratio of 0.53 (1):0.47 (1). The dihedral angles between the 4-methylphenyl ring and the major and minor components of the thiophene ring are 66.3 (1) and 67.9 (1)°, respectively, while the dihedral angle between the disordered thiophenyl components is 3.1 (1)°. The mean plane of the tricyclic ring system makes dihedral angles of 35.8 (1), 30.8 (1) and 32.8 (1)°, respectively, with the 4-methylphenyl ring and the major and minor components of the thiophenyl ring. In the crystal, inversion dimers are formed through pairs of C—Hπ interactions. In addition, C—HO interactions are observed.
organic compounds
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The title compound, C30H30O5, is the Diels–Alder adduct from 1,3-diphenylbenzo[c]furan and diethyl maleate. The molecule comprises a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a boat conformation. The dihedral angle between the 4-methylphenyl substituents in the 1- and 8-positions is 62.1 (1)°. The ethyl group of one ester group and the ethoxy group of the other ester group are disordered over two sets of sites, with occupancy ratios of 0.43 (2):0.57 (2) and 0.804 (7):0.196 (7), respectively. In the crystal, inversion dimers are formed through pairs of C—HO interactions.
organic compounds
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In the title compound, C16H13NO2, the isoxazole ring makes dihedral angles of 17.1 (1)° with the 3-methoxyphenyl ring and 15.2 (1)° with the phenyl group. Centrosymmetric dimers that are realised by pairs of C—Hπ interactions are observed in the crystal structure.
organic compounds
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The title compound, C19H17NO5, comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a half-chair conformation, while the isoxazole ring adopts an envelope conformation with the C atom bonded to the methoxyphenyl group as the flap. The dihedral angle between the mean plane of the pyran ring and the adjacent benzene ring is 5.86 (5)°. In the crystal, molecules are linked by a weak C—HO hydrogen bond, forming a chain along the a axis.
organic compounds
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The title compound, C17H11ClN2O2, which contains two stereogenic C atoms, crystallizes in a centrosymmetric space group as a racemate. The pyran ring and the isoxazole ring adopt sofa and twisted conformations, respectively. The dihedral angle between the benzene ring and the mean plane through the near coplanar atoms of the pyran ring is 4.17 (5)°. The molecular conformation features a weak C—HO contact. In the crystal, C—HO hydrogen bonds link the molecules, forming chains along the a-axis direction.
organic compounds
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In the title compound, C13H9ClN2O, the dihedral angle between the acrylonitrile C=C—CN plane and the quilonine ring system is 71.3 (2)°. In the crystal, molecules are linked by O—HN hydrogen bonds, forming chains along [01-1]. The chains are linked into a three-dimensional network through C—HN interactions.
organic compounds
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The title compound, C28H24O5, consists of a fused tricyclic system containing two five-membered rings and one six-membered ring. The five-membered rings both exhibit an envelope conformation with the O atom at the flap, whereas the six-membered ring adopts a boat conformation. The dihedral angle between the 4-methylphenyl rings at the 1,8-positions is 76.4 (1)°. In the crystal, molecules are stacked in columns along the a axis through C—HO interactions.
organic compounds
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There are two independent molecules (A and B) in the asymmetric unit of the title compound, C14H12ClNO3. The mean planes of the methyl ester unit (Cmethyl—O—C=O; r.m.s. deviation = 0.051 Å for molecule A and 0.016 Å for molecule B) and the chloroquilonine ring system (r.m.s. deviation = 0.023 Å for molecule A and 0.014 Å for molecule B) form dihedral angles of 63.5 (1)° in molecule A and 78.1 (1)° in molecule B. The main difference between the two independent molecules is reflected in the (H)O—C—C=C(H2) torsion angle which is −109.7 (2)° in molecule A and 10.6 (2)° in molecule B. An intramolecular O—HO hydrogen bond is observed in molecule A. In the crystal, molecules A and B are linked into pairs via bifurcated O—H(N,Cl) hydrogen bonds and a weak C—HO hydrogen bond links pairs of molecules into chains along [100].
organic compounds
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In the title compound, C27H25ClN2O3, the methylpyrrolidine ring adopts an envelope conformation with the N atom at the flap. The mean plane of the pyrrolidine ring makes dihedral angles of 82.1 (1), 84.4 (1) and 79.8 (1)°, respectively, with the adjacent benzene ring, the mean plane of the indoline ring system and the phenyl ring. The molecular structure is stabilized by intramolecular C—HO hydrogen bonds. In the crystal, molecules are linked into chains along [101] by N—HO hydrogen bonds. C—Hπ interactions are observed between the chains.