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6-Oxo-1,6-dihydro-pyridazine-3-carbaldehyde monohydrate.

ABSTRACT: In the title hydrate, C(5)H(4)N(2)O(2)·H(2)O, the pyridazine ring is essentially planar, with an r.m.s. deviation of 0.0025 Å. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a one-dimensional chain.

SUBMITTER: Wang L

PROVIDER: S-EPMC3414938 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Amino-5-bromo-pyridinium 6-oxo-1,6-dihydro-pyridine-2-carboxyl-ate monohydrate.

Project description:In the crystal structure of the title salt, C(5)H(6)BrN(2) (+)·C(6)H(4)NO(3) (-)·H(2)O, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ion pairs are further connected via O-H⋯O, N-H⋯O, N-H⋯Br and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. The water mol-ecules self-assemble through O-H⋯O hydrogen bonds, forming one-dimensional supra-molecular chains along the a axis, with graph-set notation C(2) (2)(4).

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2-Amino-5-methyl-pyridinium 6-oxo-1,6-dihydro-pyridine-2-carboxyl-ate.

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Project description:The organic molecule in the title hydrate, C(9)H(9)N(3)O(3)·H(2)O, was obtained by the condenstation of salicylic aldehyde with urea in acetonitrile. The oxazine ring adopts a slightly distorted sofa conformation, with the N atom deviating from the plane passing through the other atoms of the ring by 0.267 (2) Å. The crystal structure displays inter-molecular N-H⋯O and O-H⋯O hydrogen bonding.

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Project description:In the title salt, C(5)H(6)ClN(2) (+)·C(6)H(4)NO(3) (-)·0.85H(2)O, the pyridin-ium ring is planar, with a maximum deviation of 0.010 (2) Å. In the crystal structure, the cations, anions and water mol-ecules are linked via N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network.

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1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate.

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Project description:In the title compound, C(10)H(9)NO(3)S·H(2)O, the thio-morpholine ring exists in a conformation inter-mediate between twist-boat and half-chair. An inter-molecular O-H?O hydrogen bond links the acid and water mol-ecules together. In the crystal packing, inter-molecular O-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

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N-Cyclo-pentyl-3-(4-hydr-oxy-6-oxo-1,6-dihydro-pyrimidin-5-yl)-3-p-tolyl-propanamide.

Project description:In the mol-ecule of the title compound, C(19)H(23)N(3)O(3), the six-membered rings are oriented at a dihedral angle of 73.06?(3)°. The cyclo-pentyl ring adopts an envelope conformation. In the crystal structure, inter-molecular N-H?O and O-H?N hydrogen bonds link the mol-ecules. In the tolyl ring, the H atoms and all but one of the C atoms are disordered over two positions and were refined with occupancies of 0.51?(3) and 0.49?(3).

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3,3,4,4-Tetra-fluoro-2,3,4,5-tetra-hydro-1,6-benzodioxocine-8-carbaldehyde.

Project description:In the title compound, C(11)H(8)F(4)O(3), the eight-membered dialk-oxy ring adopts a highly puckered conformation. In the crystal, mol-ecules are linked by weak C-H?O inter-actions.

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