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3-(1,3-Dithio-lan-2-yl-idene)-1-(4-meth-oxy-phen-yl)pyridine-2,4(1H,3H)-dione.

ABSTRACT: In the title compound, C(15)H(13)NO(3)S(2), the dithiol-ane ring adopts a twisted conformation. The mol-ecule exhibits a V-shaped conformation, with a dihedral angle of 79.05?(7)° between the benzene ring and the pyridine ring. In the crystal, C-H?O inter-actions are observed.

SUBMITTER: Ma YC

PROVIDER: S-EPMC3200629 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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3-(1,3-Dithio-lan-2-yl-idene)-1-(4-meth-oxy-phen-yl)pyridine-2,4(1H,3H)-dione.

Ma Yan-Chun YC Song Jin-Long JL

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the title compound, C(15)H(13)NO(3)S(2), the dithiol-ane ring adopts a twisted conformation. The mol-ecule exhibits a V-shaped conformation, with a dihedral angle of 79.05 (7)° between the benzene ring and the pyridine ring. In the crystal, C-H⋯O inter-actions are observed. ...[more]

PMID: 22064441

Similar Datasets

3-(1,3-Dithio-lan-2-yl-idene)-1-phenyl-pyridine-2,4(1H,3H)-dione.

Project description:The title compound, C(14)H(11)NO(2)S(2), was synthesized by reaction of 2-(1,3-dithio-lan-2-yl-idene)-3-oxo-N-phenyl-butanamide with N,N'-dimethyl-formamide dimethyl acetal in N,N'-dimethyl-formamide. The mol-ecule exhibits a V-shaped conformation in the crystal, with a dihedral angle of 65.9?(2)° between the benzene and pyridine rings. In the crystal. C-H?O and C-H?S interactions are observed. Two C atoms of the dithiolane ring are disordered with occupancies in the ratio 0.541?(13)/0.459?(13).

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Project description:Mol-ecules of the title compound, C(18)H(16)N(2)S(2), exist as the (2E, 1'Z)-isomer. The 1,3-dithiol-ane ring has an envelope conformation; the atoms of the C-C bond are disordered over two positions with occupancies of 0.47?(7) and 0.53?(7). The structure exhibits inter-molecular C-H?S and C-H??(arene) hydrogen bonds.

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6-(Trifluoro-meth-yl)pyrimidine-2,4(1H,3H)-dione monohydrate.

Project description:The title compound, C(5)H(3)F(3)N(2)O(2)·H(2)O, was prepared by the reaction of ethyl 4,4,4-trifluoro-3-oxobutano-ate with urea. In the crystal, the 6-(trifluoro-meth-yl)pyrimidine-2,4(1H,3H)-dione and water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds. A ring dimer structure is formed by additional inter-molecular N-H⋯O hydrogen bonds.

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Project description:In the title compound, C17H12F2N2O2S2, the conformation of the dithia-cyclo-pentane ring is a half-chair, with a total puckering amplitude Q T = 0.460 (1) Å. π-π inter-actions [centroid-centroid distance = 3.585 (9) Å between the fluoro-phenyl rings of neighbouring mol-ecules] and C-H⋯N and C-H⋯O inter-actions help to stabilize the crystal structure and form ladders along the c axis.

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(E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-yl-methyl-idene)amino]-pyrimidine-2,4(1H,3H)-dione.

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(5E)-2-[4,5-Bis(methyl-sulfan-yl)-1,3-dithiol-2-yl-idene]-5-(4-iodo-1,3-dithiol-2-yl-idene)-1,3-dithio-lan-4-one.

Project description:The mol-ecular framework of the title compound, C(11)H(7)IOS(8), is almost planar [maximum deviation = 0.040?(4)?Å], except for the two methyl-sulfanyl groups, which are twisted relative to the mol-ecular skeleton, making C-S-C-C torsion angles of 144.1?(8) and -141.3?(8)°. In the crystal, mol-ecules are stacked alternately in opposite orientations, forming a one-dimensional column parallel to [110]. The primary inter-actions between mol-ecules comprising the columns are of the S?S type [3.554?(1)?Å]. Inter-actions between columns are of the S?S type [3.411?(1) along b and 3.444?(1)?Å along c], as well as S?I contacts [3.435?(2)?Å].

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Project description:The title compound, C(14)H(16)N(4)O(2)S, is a Schiff base derivative of 2-(methyl-sulfan-yl)benzaldehyde. The configuration about the C=N double bond is E. The heterocyclic ring is essentially planar (τ = 3.1°) and makes a dihedral angle of 12.24 (7)° with the benzene ring. An intra-molecular N-H⋯S hydrogen bond is observed. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link mol-ecules into layers perpendicular to [101]. The closest distance between the centroids of two heterocyclic rings was found to be 3.5268 (8) Å.

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1-{[(2,3-Dihydro-1H-inden-2-yl)-oxy]meth-yl}quinazoline-2,4(1H,3H)-dione.

Project description:In the title mol-ecule, C(18)H(16)N(2)O(3), the five-membered ring has an envelope conformation, with the substituted C atom deviating by 0.342 (4) Å from the mean plane P calculated for the remainder of the non-H atoms of the 2,3-dihydro-1H-indene fragment. The mean planes of quinazoline-2,4(1H,3H)-dione fragment and P form a dihedral angle of 59.08 (4)°. In the crystal, pairs of N-H⋯O hydrogen bonds link mol-ecules into inversion dimers, and weak C-H⋯O hydrogen bonds and π-π inter-actions between the benzene rings of the quinazoline ring systems [centroid-centroid distance = 3.538 (3) Å] further consolidate the packing.

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1-[(1,3-Dithio-lan-2-yl)meth-yl]-6-methyl-8-nitro-1,2,3,5,6,7-hexa-hydro-imidazo[1,2-c]pyrimidine.

Project description:In the title compound, C(11)H(18)N(4)O(2)S(2), the dithiol-ane ring displays an envelope conformation, the tetra-hydro-pyrimidine ring has a conformation that is between half-chair and screw-boat, and the imidazole ring is essentially planar (r.m.s. deviation = 0.0017 Å). No significant directional inter-molecular inter-actions are present in the structure.

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1-[(1,3-Dithio-lan-2-yl)meth-yl]-8-nitro-6-propyl-1,2,3,5,6,7-hexa-hydro-imidazo[1,2-c]pyrimidine.

Project description:In the title compound, C(13)H(22)N(4)O(2)S(2), the six-membered ring displays a half-chair conformation. The olefin amine unit is close to being coplanar with the imidazolidine ring (r.m.s. deviation = 0.059 Å). The dithiol-ane ring adopts a twisted conformation. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions.

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