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3-Hydr-oxy-3a,6,8c-trimethyl-perhydro-oxireno[2',3':7,8]naphtho[1,2-b]furan-7(2H)-one.

ABSTRACT: The title compound, C(15)H(22)O(4), consists of two trans-fused six-membered rings and a trans-fused five-membered ?-lactone. The ep-oxy and hydroxyl groups are ?-oriented. The cyclo-hexane rings adopt half-chair and chair conformations and the lactone ring is in an envelope conformation. The mol-ecular structure is stabilized by one O-H?O and three C-H?O intra-molecular hydrogen bonds.

SUBMITTER: Kesternich V

PROVIDER: S-EPMC2977239 | biostudies-literature |

REPOSITORIES: biostudies-literature

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8-[(2-Hy-droxy-phen-yl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b-hexa-hydro-naphtho-[1,2-b]furan-2(3H)-one.

Project description:The title compound, C(21)H(23)NO(3), is a phenyl-imine derivative of the well known anthelmintic agent α-santonin. The trans-fused cyclo-hexane and γ-lactone rings of the α-santonin ring system adopt chair and envelope conformations, respectively, whereas the hexa-diene ring is approximately planar [maximum deviation = 0.029 (4) Å] and forms a dihedral angle of 62.30 (11)° with the benzene ring. An intra-molecular O-H⋯N hydrogen bond is observed.

| S-EPMC3393965 | biostudies-literature

6,6,9a-Trimethyl-5,5a,6,7,8,9,9a,9b-octa-hydro-naphtho[1,2-c]furan-1(3H)-one.

Project description:In the crystal structure of the title compound, C(15)H(22)O(2), the cyclo-hexene and cyclo-hexane rings adopt half-boat and chair conformations, respectively, and the lactone ring is in an envelope conformation.

| S-EPMC2960948 | biostudies-literature

Methyl 4-hydr-oxy-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:The asymmetric unit of the title compound, C(10)H(9)NO(5)S, contains two independent mol-ecules. The heterocyclic thia-zine rings in both mol-ecules adopt half-chair conformations, with the S atoms in each mol-ecule displaced by 0.455?(3) and 0.539?(3)?Å and the N atoms displaced in the opposite direction by 0.214?(3) and 0.203?(3)?Å, from the planes defined by the remaining ring atoms. The crystal structure is stabilized by O-H?O, N-H?O and C-H?O hydrogen bonds involving both inter- and intra-molecular inter-actions.

| S-EPMC2959412 | biostudies-literature

3-Benzoyl-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine 1,1-dioxide.

Project description:In the title mol-ecule, C(16)H(13)NO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.410 (3) and 0.299 (3) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The crystal structure is stabilized by inter-molecular hydrogen bonds of the types O-H⋯O and C-H⋯O; the former result in dimers lying about inversion centers and the latter form chains of mol-ecules running along the c axis. In addition, intra-molecular O-H⋯O links are present.

| S-EPMC2983979 | biostudies-literature

5-Hydr-oxy-1-(3-hydr-oxy-2-naphtho-yl)-3,5-dimethyl-2-pyrazoline.

Project description:In the title mol-ecule, C(16)H(16)N(2)O(3), intra-molecular O-H?O hydrogen bonds influence the mol-ecular conformation. Inter-molecular O-H?O hydrogen bonds [O?O = 2.922?(2)?Å] link the mol-ecules into centrosymmetric dimers. Weak inter-molecular C-H?O inter-actions assemble these dimers into layers parallel to the bc plane.

| S-EPMC2962119 | biostudies-literature

3-(3-Chloro-benzo-yl)-4-hydr-oxy-2H-1,2-benzothia-zine 1,1-dioxide.

Project description:In the title compound, C(15)H(10)ClNO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.476?(5) and 0.227?(5)?Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The structure is stabilized by inter-molecular N-H?O and C-H?O hydrogen bonds. In addition, intra-molecular O-H?O and C-H?N inter-actions are also present.

| S-EPMC2984067 | biostudies-literature

Methyl 4-hydr-oxy-2-propyl-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:In the title compound, C(13)H(15)NO(5)S, the thia-zine ring adopts a distorted half-chair conformation. The enolic H atom is involved in an intra-molecular O-H?O hydrogen bond, forming a six-membered ring. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds, resulting in zigzag chains lying along the c axis.

| S-EPMC2972157 | biostudies-literature

N-Butyl-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxamide 1,1-dioxide.

Project description:The title compound, C(14)H(18)N(2)O(4)S, contains hydrogen-bonded dimeric pairs of mol-ecules arranged around inversion centers, forming 14-membered rings with an R(2) (2)(14) motif. The structure is stabilized by extensive intra-molecular inter-actions. The thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by -0.485?(3) and 0.296?(3)?Å, respectively, from the plane formed by the remaining atoms of the ring.

| S-EPMC2961640 | biostudies-literature

Methyl 2-allyl-4-hydr-oxy-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:In the title compound, C(13)H(13)NO(5)S, the thia-zine ring adopts a distorted half-chair conformation. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds give rise to two six-membered hydrogen bonded rings. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds, resulting in a zigzag chain lying along the c axis.

| S-EPMC2971956 | biostudies-literature

1-(4-Hydr-oxy-2-methyl-1,1-dioxo-2H-1,2-benzothia-zin-3-yl)ethanone.

Project description:In the title compound, C(11)H(11)NO(4)S, the thia-zine ring adopts a distorted half-chair conformation. The enolic H atom is involved in an intra-molecular O-H⋯O hydrogen bond, forming a six-membered ring. Mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds, resulting in chains lying along the b axis.

| S-EPMC2961329 | biostudies-literature

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