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1-(2-Oxo-3,4-dihydro-2H-1,3-benzoxazin-4-yl)urea monohydrate.

ABSTRACT: 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.

SUBMITTER: Kurbanova MM

PROVIDER: S-EPMC3007927 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(3-Oxo-3,4-dihydro-2H-1,4-benzo-thia-zin-4-yl)acetic acid monohydrate.

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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3,3'-(Ethane-1,2-di-yl)bis-(3,4-dihydro-2H-1,3-benzoxazine).

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2-(3-Oxo-3,4-dihydro-2H-1,4-benzothia-zin-4-yl)acetohydrazide.

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Project description:In the title compound, C(10)H(10)N(2)O(2)S, the thia-zine ring approximates to an envelope form with the S atom in the flap position. The amide group attached to the acetate group is almost perpendicular to the mean plane of the thia-zine ring [dihedral angle = 88.83 (8)°]. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur. Further N-H⋯O and C-H⋯O hydrogen bonds link the dimers into a three-dimensional network.

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2-(3-Oxo-1,3-dihydro-isobenzofuran-1-yl)-phthalazin-1(2H)-one.

Project description:The reaction of 2-carboxy-benzaldehyde and hydrazine hydrate unexpectedly yielded the title compound, C(16)H(10)N(2)O(3), which comprises one phthalide ring, one phthalazine system and a chiral centre. The phthalide unit is almost perpendicular to the phthalazine system, forming a dihedral angle of 87.1 (3)°. The packing is governed by weak C-H⋯O hydrogen-bonding inter-actions, forming layers parallel to the ab plane.

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Methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothia-zin-4-yl)acetate.

Project description:In the crystal structure of the title compound, C(11)H(11)NO(3)S, the mol-ecules are linked by inter-molecular C-H⋯O hydrogen-bond inter-actions. The heterocyclic thia-zine ring adopts a conformation inter-mediate between twist and boat.

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Project description:The asymmetric unit of the title compound, C(20)H(24)N(2)O(2), contains one half-mol-ecule, which is completed by inversion symmetry. In the crystal, mol-ecular chains are formed through non-classical C-H⋯O hydrogen bonds, formed between axial H atoms of the oxazine ring and a O atom of a neighboring mol-ecule.

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Methyl 3-hydr-oxy-4-oxo-3,4-dihydro-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide monohydrate.

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4-(5,3'-Dimethyl-5'-oxo-2-phenyl-2',5'-dihydro-2H-[3,4']bipyrazol-1'-yl)benzene-sulfonamide monohydrate.

Project description:In the title compound, C(20)H(19)N(5)O(3)S·H(2)O, the pyrazole ring is connected to a pyrazolone ring, and the two five-membered rings are aligned at 45.0?(1)°. The pyrazole ring is connected to a phenyl ring and the two are twisted by 42.7?(1)°. Finally, the pyrazolone ring is connected to a benzene ring and the two are twisted by 19.5?(1)°. The N-H and -NH(2) portions and the solvent water mol-ecules are engaged in N-H?N, N-H?O and O-H?O hydrogen-bonding inter-actions to generate a three-dimensional network.

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2-(2-{[4-Oxo-3-(2-phenyl-eth-yl)-3,4-dihydro-quinazolin-2-yl]sulfan-yl}eth-yl)-2,3-dihydro-1H-isoindole-1,3-dione.

Project description:In the title compound, C(26)H(21)N(3)O(3)S, the quinazolinyl group is essentially planar [r.m.s. deviation for the 10 non-H atoms = 0.057?Å]. The isoindoline-1,3-dione group is linked by an SCH(2)CH(2) chain to the pyrimidinyl C atom that lies between the two N atoms. Also, the phenyl group is linked by a CH(2)CH(2) chain at the N atom adjacent to the carbonyl group. This results in a conformation with these substituents lying to either side of the central quinazolinyl unit, with the former being approximately parallel [dihedral angle = 4.93?(7)°], and the phenyl group being inclined [dihedral angle = 71.61?(9)°] to the central quinazolinyl fused-ring system. In the crystal, mol-ecules are consolidated into a three-dimensional architecture by C-H?O inter-actions, involving all three carbonyl-O atoms, and ?-? inter-actions occurring between the pyrimidinyl and isoindole-benzene rings [inter-centroid distance = 3.5330?(13)?Å].

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