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4-Methyl-2,7-dioxo-3,6-dioxa-1(1,1')-ferrocenacyclo-hepta-phane.

ABSTRACT: In the title compound, [Fe(C(15)H(14)O(4))], the two cyclo-penta-dienyl (Cp) rings are nearly parallel, making a dihedral angle of 2.6 (1)°. The distance between the centroids of the Cp rings is 3.309 (8) Å. The relative orientation of the two Cp rings is characterized by a torsion angle of -43.99 (6)° defined by the two centroids and the two substituted C atoms.

SUBMITTER: Leng X

PROVIDER: S-EPMC3151989 | biostudies-literature |

REPOSITORIES: biostudies-literature

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6-(4-Methyl-phen-yl)-2,10-dioxo-3,9-dioxa-6-aza-1(1,1')-ferrocenacyclo-deca-phane.

Project description:In the title compound, [Fe(C(23)H(23)NO(4))], the two cyclo-penta-dienyl (Cp) rings are nearly parallel, with a dihedral angle of 2.1?(1)°. The distance between the centroids of the Cp rings is 3.277?(8)?Å. The relative orientation of the two Cp rings is characterized by a torsion angle of -64.3?(3)° defined by the two centroids and two substituted atoms.

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1,4,6,9-Tetra-tert-butyl-2,7-dioxa-tricyclo-[6.3.0.0(3,6)]deca-3,8-diene.

Project description:The title compound, C(24)H(40)O(2), lies on an inversion center with a half-mol-ecule in the asymmetric unit. The central dioxane ring adopts a chair conformation. The four-membered ring is slightly puckered with a butterfly angle of 13.50?(14)°.

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(2E,7E)-2,7-Bis[(thio-phen-2-yl)methyl-idene]cyclo-hepta-none.

Project description:The whole molecule of the title compound, C17H16OS2, is generated by two-fold rotational symmetry. The carbonyl C and O atoms of the cycloheptanone ring lie on the twofold rotation axis which bisects the opposite -CH2-CH2- bond of the ring. The mol-ecule exists in an E,E conformation with respect to the C=C double bond. The cyclo-hepta-none ring exhibits a twisted chair conformation and its mean plane makes a dihedral angle of 50.12?(19)° with the planes of the thio-phene rings. The two S atoms are in an anti arrangement with respect the carbonyl O atom and the dihedral angle between the two thio-phene ring planes is 69.38?(7)°. In the molecule, there are two intramolecular C-H?S hydrogen bond, forming S(6) ring motifs. In the crystal, inversion dimers are generated via pairs of C-H?O hydrogen bonds. These dimers are inter-connected by another inter-action of the same kind with a neighbouring mol-ecule, forming a mol-ecular chain along the c-axis direction.

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16-Methyl-11-(2-methyl-phen-yl)-14-phenyl-8,12-dioxa-14,15-di-aza-tetra-cyclo-[8.7.0.0(2,7).0(13,17)]hepta-deca-2(7),3,5,13(17),15-penta-ene-10-carbo-nitrile.

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Methyl 11,14,16-triphenyl-8,12-dioxa-14,15-di-aza-tetra-cyclo-[8.7.0.0(2,7).0(13,17)]hepta-deca-2(7),3,5,13(17),15-penta-ene-10-carboxyl-ate.

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Project description:In the title compound, C(14)H(13)N(3)O(2), the relative stereochemistry of the three stereogenic C atoms has been determined. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains of inversion dimers running along the b axis.

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Project description:In the crystal structure of the title mol-ecule, C(13)H(15)NO(5)S, the S and N atoms of the thia-zine ring exihibit the maximum deviations from the least-squares plane of 0.3008?(6) and 0.3280?(7)?Å, respectively. The ring therefore adopts a half chair conformation. The thia-zine ring is twisted by an angle of 13.29?(7)° with respect to the aromatic ring. The isopropyl substituent is oriented at a dihedral angle of 53.2?(12)° with respect to the thia-zine ring. An intra-molecular O-H?O hydrogen bond occurs. Inter-molecular hydrogen bonding is observed in the crystal structure.

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Methyl 2-butyl-4-hy-droxy-1,1-dioxo-2H-1,2-benzothia-zine-3-carboxyl-ate.

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