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Crystal structure of (1S,2R)-6,6-dimethyl-4,8-dioxo-2-phenyl-spiro-[2.5]octane-1-carbaldehyde.

ABSTRACT: In the title compound, C17H18O3, the two non-spiro C atoms of the cyclo-propane ring bear a formyl and a phenyl substituent which are trans-oriented. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π contacts resulting in a three-dimensional supra-molecular structure.

SUBMITTER: Chelli S

PROVIDER: S-EPMC4770978 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(-)-N,N'-Bis[(1S,2R,5S)-6,6-dimethyl-bicyclo-[3.1.1]heptan-2-ylmeth-yl]pyridine-2,6-dicarboxamide monohydrate.

Project description:The title compound, C(27)H(39)N(3)O(2)·H(2)O, is a chiral pyridine-2,6-dicarboxamide derivative including cis-myrtanyl groups as amine substituents. The pyridine-2,6-dicarboxamide core approximates C(2) point symmetry and a solvent water mol-ecule lies on the pseudo-twofold axis. The water mol-ecule serves both as acceptor and donor for efficient hydrogen bonds involving N-H and C=O functional groups as donor and acceptor groups, respectively. As a result, each water mol-ecule in the crystal structure is tetra-hedrally bonded to three symmetry-related mol-ecules, forming a three-dimensional supra-molecular network. Such an arrangement is a common feature found in the majority of X-ray-characterized sym-metrically substituted pyridine-2,6-dicarboxamide derivatives.

| S-EPMC2961349 | biostudies-literature

(1R*,2R*,4S*,5R*,6R*,8S*)-4,8-Dimethyl-2,6-diphenyl-bicyclo-[3.3.1]nonane-2,6-diol.

Project description:The racemic title compound, C(23)H(28)O(2), crystallizes in the space group C2/c as a layered structure in which a centrosymmetric three hydrogen bond sequence links four molecules. Both hydroxy groups are involved in this arrangement, but they differ in that one participates in two hydrogen bonds while the other takes part in only one. Between layers, the aromatic rings take part in edge-face interactions [shortest C-H⋯C distances 3.04, 3.10 and 3.12 Å and angle between normal to planes 86.7(2)°], forming a centrosymmetric dimer. The lattice is further stabilized by C-H⋯π interactions involving both methyl (shortest C⋯C 3.82 and 3.97 Å) and methylene (shortest C⋯C 3.60 Å) groups.

| S-EPMC2968924 | biostudies-literature

Dichloridobis[(1S,1S',2R,2R')-(+)-1,1'-di-tert-butyl-2,2'-diphospho-lane-?P,P']ruthenium(II).

Project description:In the title compound, [RuCl(2)(C(16)H(32)P(2))(2)], the Ru(II) ion is situated on a twofold rotation axis, so the asymmetric unit contains one half-mol-ecule. The slightly distorted octa-hedral environment of the Ru center is formed by four P atoms [Ru-P = 2.4417?(6) and 2.4544?(6)?Å] from two different (1S,1S',2R,2R')-TangPhos ligands [(1S,1S',2R,2R')-TangPhos = (1S,1S',2R,2R')-(+)-1,1'-di-tert-butyl-2,2'-diphospho-lane] and two Cl atoms [Ru-Cl = 2.4267?(5)?Å].

| S-EPMC2961537 | biostudies-literature

Crystal structure of (1S,2R,4R,9S,11S,12R)-9?-hy-droxy-4,8-dimethyl-12-[(thio-morpholin-4-yl)meth-yl]-3,14-dioxatri-cyclo-[9.3.0.0(2,4)]tetra-dec-7-en-13-one.

Project description:The title compound, C19H29NO4S, was synthesised from 9?-hy-droxy-parthenolide (9?-hy-droxy-4,8-dimethyl-12-methyl-ene-3,14-dioxatri-cyclo-[9.3.0.0(2,4)]tetra-dec-7-en-13-one), which was isolated from the chloro-form extract of the aerial parts of the plant Anvillea radiata. The mol-ecule is built up from two fused five- and ten-membered rings, with an additional ep-oxy ring system and a thio-morpholine group as a substituent. The ten-membered ring adopts an approximate chair-chair conformation, while the thio-morpholine ring displays a chair conformation and the five-membered ring has an envelope conformation, with the C atom closest to the hy-droxy group forming the flap. An intra-molecular O-H?N hydrogen bond closes an S(8) ring. The crystal structure features weak C-H?O hydrogen-bonding inter-actions, which link the mol-ecules into [010] chains.

| S-EPMC4384556 | biostudies-literature

(5R)-Ethyl 6-benzyl-8,8-dimethyl-7,9-dioxo-1-oxa-2,6-diaza-spiro-[4.4]non-2-ene-3-carboxyl-ate.

Project description:In the title compound, C(18)H(20)N(2)O(5), the pyrrolidine ring adopts an envelope conformation with the C atom bonded to the methyl groups as the flap. The dihydro-isoxazole ring is essentially planar (r.m.s. deviation = 0.041?Å) and forms a dihedral angle of 65.19?(6)° with the phenyl ring. In the crystal, neighbouring mol-ecules are linked into chains along [110] by inter-molecular C-H?O hydrogen bonds and weak C-H?? inter-actions involving the phenyl ring.

| S-EPMC2971144 | biostudies-literature

Methyl 4'-benzyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate.

Project description:In the isoquinoline ring system of the title mol-ecule, C(22)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The least-squares plane of the dioxa-2-aza-spiro ring [maximum deviation = 0.076?(1)?Å] and forms a dihedral angle of 14.54?(4)° with the phenyl ring. In the crystal, mol-ecules are linked via inter-molecular C-H?O hydrogen bonds into layers parallel to (100).

| S-EPMC3120312 | biostudies-literature

1,3-Dihydr-oxy-9,10-dioxo-9,10-di-hydro-anthracene-2-carbaldehyde.

Project description:The title compound, C(15)H(8)O(5), also known as nordamnacanthal, was isolated from the Malaysian Morinda citrifolia L. The 20 non-H atoms are coplanar. The structure is stabilized by intra-molecular O-H?O hydrogen bonds and inter-molecular O-H?O and C-H?O hydrogen bonds, forming bilayers of mol-ecular tapes with alternating stacking directions along the a axis.

| S-EPMC2960756 | biostudies-literature

(1S,2R,3R,8R,10S)-3-Chloro-2,8-dihy-droxy-3,7-dimethyl-11-methyl-idene-13-oxabicyclo-[8.3.0]tridec-6-en-12-one.

Project description:The title compound, C(15)H(21)ClO(4), was synthesized from 9?-hy-droxy-parthenolide (9?-hy-droxy-4,8-dimethyl-12-methylen-3,14-dioxatricyclo-[9.3.0.0(2,4)]tetra-dec-7-en-13-one), which was isolated from the chloro-form extract of the aerial parts of Anvillea radiata. The mol-ecule is built up from fused five- and ten-membered rings. The five-membered lactone ring has an envelope conformation with the flap atom, C(H)-C-C(H), displaced by 0.2325?(15)?Å from the mean plane through the remaining four atoms, whereas the ten-membered ring displays an approximate chair-chair conformation. The dihedral angle between the two rings is 66.4?(2)°. In the crystal, mol-ecules are linked into chains propagating along the a axis by O-H?O hydrogen bonds.

| S-EPMC3247566 | biostudies-literature

2-Chloro-7,8-dimethyl-quinoline-3-carbaldehyde.

Project description:All the non-H atoms of the title compound, C(12)H(10)ClNO, lie on a crystallographic mirror plane orientated perpendicular to the crystallographic b axis.

| S-EPMC2971046 | biostudies-literature

4,8-Dimethyl-pyrano[2,3-a]carbazol-2(11H)-one.

Project description:The mol-ecule of the title compound, C(17)H(13)NO(2), is nearly planar, the r.m.s. deviation for all non-H atoms excluding the two methyl C atoms being 0.089 Å. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds are found in the crystal structure. C-H⋯π inter-actions are also found. The H atoms of the methyl group attached to the benzene ring are disordered equally over two positions.

| S-EPMC2968986 | biostudies-literature

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