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Rac-Dimethyl 5-oxo-2-[(2,4,4-trimethyl-pentan-2-yl)amino]-4,5-dihydro-pyrano[3,2-c]chromene-3,4-dicarboxyl-ate.

ABSTRACT: The title compound, C(24)H(29)NO(7), is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The coumarin ring system and the fused pyran ring make a dihedral angle of 10.46 (8)°. A short intra-molecular N-H⋯O hydrogen bond between the amino group and the vicinal carbonyl group generates an S(6) ring. Inter-molecular C-H⋯O inter-actions contribute to the stability of the crystal structure.

SUBMITTER: Inglebert SA

PROVIDER: S-EPMC3393981 | biostudies-literature |

REPOSITORIES: biostudies-literature

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rac-Diethyl 5-oxo-2-[(2,4,4-trimethyl-pentan-2-yl)amino]-4,5-dihydro-pyrano[3,2-c]chromene-3,4-dicarboxyl-ate.

Project description:The title compound, C(26)H(33)NO(7), comprises a racemic mixture of asymmetric mol-ecules containing one stereogenic centre. The dihedral angle between the mean planes of the fused pyran ring and the coumarin ring system is 8.12?(14)°. The mol-ecular structure features a short N-H?O contact, which generates an S(6) ring motif. The crystal packing are stabilized by C-H?O inter-actions.

| S-EPMC3254459 | biostudies-other

rac-Dimethyl 2-(tert-butyl-amino)-5-oxo-4,5-dihydro-pyrano[3,2-c]chromene-3,4-dicarboxyl-ate.

Project description:The title compound, C(20)H(21)NO(7), is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The mol-ecular framework is somewhat bent; the coumarin moiety and the pyran ring are inclined by 7.85 (5)°. The mol-ecular structure is characterized by an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring motif, and the crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds. The 3-carboxyl-ate O atom is involved in both of them, having a bifurcated character.

| S-EPMC3247363 | biostudies-literature

8-Meth-oxy-3,3,5-trimethyl-3,11-dihydro-pyrano[3,2-a]carbazole.

Project description:In the title compound, C(19)H(19)NO(2), commonly called koenimbine, the pyran ring adopts a sofa conformation. The carbazole ring system is planar [r.m.s. deviation = 0.063?(1)?Å]. A C(10) zigzag chain running along the b axis is formed through inter-molecular C-H?O hydrogen bonds. The chains are linked via weak C-H?? and N-H?? inter-actions.

| S-EPMC3006796 | biostudies-literature

Ethyl 2-hydr-oxy-5-oxo-4-phenyl-2,3,4,5-tetra-hydro-pyrano[3,2-c]chromene-2-carboxyl-ate.

Project description:The main structural unit of the title compoud, C(21)H(18)O(6), is a fused three-ring group consisting of coumarin and tetra-hydro-pyrane ring systems. Two C atoms of the tetra-hydro-pyran ring are displaced by 0.295?(3) and -0.360?(2)?Å from the mean plane of coumarin ring. The dihedral angle between the phenyl and coumarin rings is 73.94?(3)°. Inter-molecular O-H?O hydrogen bonds are present in the crystal structure.

| S-EPMC2977402 | biostudies-literature

4,4'-Trimethyl-enedipiperidiniumbenzene-1,4-dicarboxyl-ate.

Project description:The hydro-thermal reaction of benzene-1,4-dicarboxylic acid and 4,4'-trimethyl-ene dipiperidine leads to the formation of the title compound, C(13)H(28)N(2) (2+)·C(8)H(4)O(4) (2-). The anion is located on a center of inversion whereas the cation is positioned on a twofold rotation axis. In the crystal structure, the anions and cations are linked by N-H⋯O and N-H⋯(O,O) hydrogen bonds.

| S-EPMC2970973 | biostudies-literature

5,6-Dimethyl-1,2,9,10-tetra-hydro-pyrano[3,2-f]chromene-3,8-dione.

Project description:The title mol-ecule, C(14)H(14)O(4), lies on a twofold rotation axis that bis-ects the central benzene ring, with only one half-mol-ecule in the asymmetric unit. The pyran-one systems adopt distorted twist- boat conformations, with the two methyl-ene C atoms displaced by 0.537 (1) and 0.163 (2) Å from the best-fit plane through the remaining five C and O atoms (r.m.s. deviation = 0.073 Å). In the crystal, bifurcated C-H⋯(O,O) hydrogen bonds link pairs of adjacent mol-ecules in an obverse fashion, stacking mol-ecules along c. These contacts are further stabilized by very weak π-π inter-actions between adjacent benzene rings with centroid-centroid distances of 4.1951 (4) Å. Additional C-H⋯O contacts link these stacks, giving a three-dimensional network.

| S-EPMC3394011 | biostudies-literature

2-(2H-Benzotriazol-2-yl)-6-[(dicyclo-hexyl-amino)-meth-yl]-4-(2,4,4-trimethyl-pentan-2-yl)phenol.

Project description:In the title mol-ecule, C(33)H(48)N(4)O, the dihedral angle between the mean planes of the benzotriazole ring system [maximun deviation = 0.038?(2)?Å] and the phenol ring is 16.6?(2)°. There is an intra-molecular O-H?N hydrogen bond between the phenol and benzotriazole groups.

| S-EPMC3470316 | biostudies-literature

Ethyl 2-amino-4-(4-methyl-1,3-thia-zol-5-yl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C19H16N2O5S, in which the thia-zole rings make dihedral angles of 80.89?(11) and 84.81?(11)° with the pyrano[3,2-c]chromene ring systems. An intra-molecular N-H?O hydrogen bond involving the amino group occurs in each independent mol-ecule. In the crystal, the amino groups are involved in N-H?O and N-H?N hydrogen bonds.

| S-EPMC3884413 | biostudies-literature

(4R)-Ethyl 4-(4-chloro-phen-yl)-2-hydr-oxy-5-oxo-2,3,4,5-tetra-hydro-pyrano[3,2-c]chromene-2-carboxyl-ate.

Project description:The title compound, C(21)H(17)ClO(6), is optically pure and adopts an R configuration. It was obtained by an organocatalytic asymmetric Michael addition of 4-hydroxy-coumarin with (E)-ethyl 4-(4-chloro-phen-yl)-2-oxobut-3-enoate. The structure consists of a tetra-hydro-pyran unit fused to the coumarin ring ring system. The hydroxyl and phenyl groups are on the same side of the tetra-hydro-pyrane ring. The benzene ring is almost perpendicular to the coumarin ring [dihedral angle of 72.89?(3)°]. In the crystal structure, inter-molecular O-H?O hydrogen bonds are observed. An intra-molecular O-H?O contact also occurs.

| S-EPMC2980058 | biostudies-literature

5-Hy-droxy-8,8-dimethyl-10-(2-methyl-but-3-en-2-yl)-2H,6H-7,8-dihydro-pyrano[3,2-g]chromene-2,6-dione.

Project description:In the title compound, C(19)H(20)O(5), the pyran ring is in an envelope conformation, whereas the benzene and dihydro-pyran ring system is planar with an r.m.s. deviation of 0.0190 (1) Å. The hy-droxy group is coplanar with the attached benzene ring [r.m.s. deviation = 0.0106 (1) Å]. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked into chains along the b axis by weak C-H⋯O inter-actions. These chains are stacked along the a axis. C-H⋯π and weak π-π inter-actions [centroid-centroid distance = 3.7698 (7) Å] are also observed.

| S-EPMC3051790 | biostudies-literature

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