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Bis[5-oxo-4,5-dihydro-8H-2-azonia-4,8,9-trizabicyclo[4.3.0]nona-2,6,9(1)-triene] sulfate.

ABSTRACT: In the crystal structure of the title compound, 2C(5)H(5)N(4)O(+)·SO(4) (2-), N-H⋯O hydrogen bonds assemble the mol-ecules into a two-dimensional network structure parallel to the cb plane. The S atom of the sulfate ion lies on a special position on a twofold axis.

SUBMITTER: Ravindra NV

PROVIDER: S-EPMC2960099 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Morpholino-4-oxo-4,5-dihydro-thio-phene-3-carbonitrile.

Project description:The title compound, C(9)H(10)N(2)O(2)S, was obtained from the treatment of ethyl 4-cyano-3-hydr-oxy-5-morpholinothio-phene-2-carboxyl-ate with concentrated HCl. The mean plane of the essentially planar dihydro-thio-phene ring is almost orthogonal to the mirror plane of the N-morpholine substituent, making a dihedral angle of 87.2 (2)°.

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Crystal structure of methyl 2-(2H-1,3-benzodioxol-5-yl)-7,9-di-bromo-8-oxo-1-oxa-spiro-[4.5]deca-2,6,9-triene-3-car-boxyl-ate.

Project description:The title compound, C18H12Br2O6, was synthesized from Morita-Baylis-Hillman adducts. It incorporates the bromin-ated spiro-hexa-dienone moiety typically exhibited by compounds of this class that exhibit biological activity. Both the brominated cyclo-hexa-dienone and the central five-membered rings are nearly planar (r.m.s. deviations of 0.044 and 0.016?Å, respectively), being almost perpendicularly oriented [inter-planar angle = 89.47?(5)°]. With respect to the central five-membered ring, the brominated cyclo-hexa-dienone ring, the benzodioxol ring and the carboxyl-ate fragment make C-O-C-C, O-C-C-C and C-C-C-O dihedral angles of -122.11?(8), -27.20?(11) and -8.40?(12)°, respectively. An intra-molecular C-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked by non-classical C-H?O and C-H?Br hydrogen bonds resulting in a molecular packing in which the brominated rings are in a head-to-head orientation, forming well marked planes parallel to the b axis.

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Ethyl 2-[4-(benzyloxy)anilino]-4-oxo-4,5-dihydro-furan-3-carboxyl-ate.

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2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium chloride.

Project description:In the crystal structure of the title compound, C(4)H(8)N(3)O(+)·Cl(-), N-H⋯Cl hydrogen bonds link the components into chains along [010]. In addition, weak C-H⋯Cl hydrogen bonds link the chains into a two-dimensional network perpendicular to (001).

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Ethyl 4-(3-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)benzoate.

Project description:In the title compound, C(13)H(15)N(3)O(3), the dihedral angle between the two aromatic ring is 51.06?(1)°. In the crystal, mol-ecules are connected by pairs of N-H?O hydrogen bonds into centrosymmetric dimers.

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3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thio-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

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