ABSTRACT: In the title mol-ecule, C(19)H(24)O(6), the cyclo-hexa-none ring adopts a chair conformation. The dihedral angle between the phenyl ring and the best plane through the six atoms of the cyclo-hexa-none ring is 89.68?(7)°. In the crystal structure, mol-ecules are linked via pairs of inter-molecular O-H?O hydrogen bonds into centrosymmetric dimers and these dimers are connected by C-H?O inter-actions into columns down the a axis.
Project description:The title compound, C(18)H(22)O(6), was obtained by the domino oxa-Michael-aldol (DOMA) reaction and has the cyclo-hexa-none ring in a chair conformation with intra-annular torsion angles in the range 49.9?(2)-58.9?(2)°. The two eth-oxy-carbonyl substituents on the cyclo-hexa-none ring adopt a syn configurations. In the crystal, the mol-ecules self-assemble through duplex inter-molecular hy-droxy-carbonyl O-H?O hydrogen bonds, giving centrosymmetric cyclic dimers [graph set R(2) (2)(12)] which inter-associate through weak C-H?O hydrogen-bonding inter-actions.
Project description:The title compound, C(14)H(18)N(2)O, was synthesized by the reaction of cyclo-hexa-none and 2-amino-5-methyl-benzonitrile. In the mol-ecule, the cyclo-hexane ring displays a chair conformation, whereas the 1,3-diaza-cyclo-hexane moiety of the bicyclic system has a sofa conformation with the spiro C atom displaced by 0.603?(2)?Å from the rest of the atoms of the 1,3-diaza-cyclo-hexane ring [planar within 0.052?(2)?Å]. Mol-ecules are linked into centrosymmetric dimers via N-H?O hydrogen bonds.
Project description:In the title compound, C36H29Cl2NO4, two spiro links connect the methyl-substituted pyrrolidine ring to the ace-naphthyl-ene and cyclo-hexa-none rings. The cyclo-hexa-none ring is further connected to the dioxalane ring by a third spiro junction. The five-membered ring of the ace-naphthylen-1-one ring system adopts a flattened envelope conformation, with the ketonic C atom as the flap, whereas the dioxalane and pyrrolidine rings each have a twist conformation. The cyclo-hexenone ring assumes a boat conformation. An intra-molecular C-H?O hydrogen-bond inter-action is present. In the crystal, mol-ecules are linked by non-classical C-H?O hydrogen bonds, forming chains extending parallel to the a axis.
Project description:In the title compound, C(42)H(33)NO(2), the six-membered cyclo-hexa-none ring adopts a slightly distorted chair conformation and the five-membered pyrrolidine ring is in an envelope conformation. The mol-ecular structure features four intra-molecular C-H?O inter-actions and an intra-molecular C-H?? inter-action. Furthermore, the crystal packing is stabilized by an inter-molecular C-H?O and three inter-molecular C-H?? inter-actions.
Project description:In the title compound, C36H31NO4, two spiro links connect the methyl-substituted pyrrolidine ring to the ace-naphthyl-ene and cyclo-hexa-none rings. The cyclo-hexa-none ring is further connected to the dioxalane ring by a third spiro junction. The five-membered ring of the ace-naphthylen-1-one ring system adopts a flattened envelope conformation with the ketonic C atom as flap, whereas the dioxalane and pyrrolidine rings each have a twist conformation. The cyclo-hexa-none ring assumes a boat conformation. Three intra-molecular C-H?O hydrogen bonds involving both ketonic O atoms as acceptors are present. In the crystal, C-H?O hydrogen bonds connect centrosymmetrically related mol-ecule into chains parallel to the b axis, forming rings of R 2 (2)(10)and R 2 (2)(8) graph-set motifs.
Project description:The structure of the title compound, C(19)H(28)O(2), has been redermined at 295?(2)?K, with much improved precision. The structure and mol-ecular packing of the title compound was first reported by Coiro et al. [Acta Cryst. (1973). B29, 1404-1409] by means of potential-energy calculations. The cell parameters in this study differ considerably in space group C2. It is a derivative of testosterone and consists of a cyclo-penta-none ring (A) fused to to successive cyclo-hexane (B and C) and cyclo-hexa-none (D) rings. The three cyclo-hexa-none rings are in slightly distorted boat configurations and the cyclo-penta-none ring is a distorted half-chair. The crystal packing is stabilized by weak inter-molecular C-H?O inter-actions involving O atoms from each of the cyclo-hexa-none and cyclo-penta-none rings and H atoms from each of their respective rings.
Project description:In the title compound C(22)H(24)O(2), the exocyclic C=C double bond is in an E configuration and the tert-butyl group is in an axial position on the cyclo-hexa-none ring. The cyclo-hexa-none ring in the dihydro-naphthalene fused-ring system adopts a half-chair conformation in both independent two mol-ecules in the asymetric unit. The benzene ring system is oriented angles of 43.97?(12) and 39.24?(12)° with respect to the naphthyl ring system in the two independent mol-ecules. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds and C-H?? inter-actions.
Project description:The title mol-ecule, C(23)H(31)NO, has two alternative cyclo-hexa-none configurations at the 4-position in a ratio of 0.663?(3):0.337?(3). The plane of the five-membered planar ring in the indolin-2-yl-idene subtends an angle of 2.19?(7)° with its fused aromatic ring, an angle of 16.24?(8)° with the plane of the major cyclo-hexa-none configuration and an angle of 8.54?(15)° with the bridging planar ethyl-idene C atoms. These last atoms subtend an angle of 8.37?(16)° with the mean plane through the major cyclo-hexa-none configuration. The mol-ecules pack approximately parallel to the ([Formula: see text]01) plane via C-H?? and C-H?O inter-actions.
Project description:In the title compound, C(26)H(30)O(7), one atom in the cyclo-hexa-none ring is disordered over two positions with a site-occupancy ratio of 0.871?(6):0.129?(6). The dihedral angles formed between the mean plane through the six C atoms of the major component of the cyclo-hexa-none ring and two benzene rings are 35.09?(10) and 34.21?(10)°; the corresponding angles for the minor component are 20.1?(2) and 19.5?(2)°. Both the major and minor disordered components of the cyclo-hexa-none ring adopt half-boat conformations. In the crystal packing, inter-molecular C-H?O hydrogen bonds connect the mol-ecules into a three-dimensional network.
Project description:In the title compound, C(15)H(20)N(2)O(3), prepared from the reaction of 2-amino-4,5-dimeth-oxy-benzonitrile and cyclo-hexa-none, the six-membered diaza ring assumes an envelope conformation. In the crystal, inversion dimers are formed by pairs of N-H?O hydrogen bonds. Futher N-H?O hydrogen bonds link the dimers into a two-dimensional structure parallel to (001).