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Dimethyl dl-2,3-dibenzyl-2,3-diisothio-cyanatosuccinate.

ABSTRACT: The title compound, C(22)H(20)N(2)O(4)S(2), has approximate mol-ecular twofold symmetry. In the crystal, the presence of C-H⋯π inter-actions leads to the formation of zigzag chains along [001].

SUBMITTER: Kalinowska-Tluscik J

PROVIDER: S-EPMC3343989 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N,N-Dibenzyl-O,O'-dimethyl thio-phosphate.

Project description:The P atom in the title compound, C(16)H(20)NO(2)PS, is bonded in a distorted tetra-hedral P(S)(O)(2)N environment with the bond angles at the P atom in the range 99.37?(7) to 115.68?(5)°. The angles at the amido N atom (with bond-angle sum of 357.8°) confirm its sp(2) character. The C-O-P bond angles are 119.78?(11) and 119.39?(12)°.

| S-EPMC3515181 | biostudies-literature

3,3'-Dibenzyl-2,2'-dimethyl-1,1'-methyl-enediimidazolium dipicrate.

Project description:In the title salt, C(23)H(26)N(4) (2+)·2C(6)H(2)N(3)O(7) (-), the dihedral angle between the imidazolium rings in the dication is 69.9 (1)°. The aromatic ring of the benzyl group is almost perpendicular to the N-heterocyclic ring that is directly connected to it [dihedral angles = 83.2 (2) and 77.3 (3)°].

| S-EPMC2961014 | biostudies-literature

2,3-Dimethyl-phenyl benzoate.

Project description:The structure of the title compound (23DMPBA), C(15)H(14)O(2), resembles those of phenyl benzoate (PBA), 3-methyl-phenyl benzoate (3MePBA), 2,6-dichloro-phenyl benzoate (26DC-PBA) and other aryl benzoates, with similar bond parameters. The dihedral angle between the benzene and benzoyl rings in 23DMPBA is 87.36 (6)°, compared with values of 55.7° in PBA, 79.61 (6)° in 3MePBA and 75.75 (10)° in 26DCPBA. The mol-ecules in 23DMPBA are packed into a chain-like structure in the direction of the a axis.

| S-EPMC2961320 | biostudies-literature

Dibenzyl 3,3'-diethyl-4,4'-dimethyl-2,2'-methylenebis(pyrrole-5-carboxylate).

Project description:In the title compound, C(31)H(34)N(2)O(4), the two pyrrole rings are bent around the central methyl-ene C atom, making a dihedral angle of 64.83?(7)°. In the crystal, mol-ecules are linked into dimers via N-H?O=C hydrogen bonds. These dimers are packed through ??? inter-actions between neighboring pyrrole rings with a separation between the mean planes of symmetry-related pyrrole rings of 3.61?(2)?Å and a centroid-centroid distance of 4.33?Å. Parallel phenyl groups in neighboring dimers also exhibit efficient ??? inter-actions, characterized by an inter-plane separation of 3.378?(8)?Å and a centroid-centroid distance of 3.97?Å.

| S-EPMC2983617 | biostudies-literature

Dibromido[1,1'-dibenzyl-2,2'-(sulfane-diyl-dimethyl-ene)di-1H-benzimidazole]-cadmium(II) dimethyl-formamide solvate.

Project description:In the title compound, [CdBr(2)(C(30)H(26)N(4)S)]·C(3)H(7)NO, both the complex and solvent mol-ecule lie on a crystallographic mirror plane. The Cd(II) ion is coordinated in a disorted square-pyramidal CdBr(2)N(2)S environment with one of the Br atoms in the apical site. In the crystal structure, the benzimidazole ring systems are involved in weak inter-molecular ?-? stacking inter-actions [centroid-centroid distances = 3.606?(2) and 3.753?(2)?Å]. Further stabilization is provided by weak inter-molecular C-H?O hydrogen bonds. The methyl H atoms of the dimethyl-formamide solvent mol-ecule are disordered about a mirror plane.

| S-EPMC3007206 | biostudies-literature

5,6-Dimethyl-pyrazine-2,3-dicarbonitrile.

Project description:The asymmetric unit of the title compound, C(8)H(6)N(4), contains two almost planar independent mol-ecules (r.m.s. deviations = 0.026 and 0.030?Å). The crystal studied was a non-merohedral twin with the components in a 0.513?(2):0.487?(2) ratio.

| S-EPMC3515305 | biostudies-literature

2-Amino-2,3-dimethyl-butanamide.

Project description:The title compound, C(6)H(14)N(2)O, was synthesized by the reaction between 2-amino-2,3-dimethyl-butanonitrile and oil of vitriol (sulfuric acid). A racemic mixture of L- and R-2-amino-2,3-di-methyl-butanamide was characterized crystallographically. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the two enanti-omers into a three-dimensional network.

| S-EPMC2979463 | biostudies-literature

2,3-Dimethyl-6-nitro-quinoxaline.

Project description:The asymmetric unit of the title quinoxaline compound, C(10)H(9)N(3)O(2), contains two crystallographically independent mol-ecules (A and B). The quinoxaline ring systems are essentially planar, with maximum deviations of 0.006 (1) and 0.017 (1) Å, respectively, for mol-ecules A and B. In mol-ecule A, the dihedral angle formed between the quinoxaline ring system and nitro group is 10.94 (3)° [6.31 (13)° for mol-ecule B]. In the crystal, mol-ecules are linked into chains propagating along [001]: one forms zigzag chains linked by C-H⋯O hydrogen bonds, whilst the other forms ladder-like chains by way of C-H⋯N and C-H⋯O hydrogen bonds. The packing is further consolidated by weak π-π inter-actions [range of centroid-centroid distances = 3.5895 (7)-3.6324 (7) Å].

| S-EPMC3006956 | biostudies-literature

2-(2,3-Dimethyl-anilino)benzohydrazide.

Project description:In the title compound, C(15)H(17)N(3)O, the dihedral angle between the benzene rings is 58.05 (9)°. The non-H atoms of the hydrazide group lie in a common plane (r.m.s. deviation = 0.0006 Å) and are close to coplanar with their attached benzene ring [dihedral angle = 8.02 (9)°]. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif in the mol-ecule, and a short intra-molecular contact (H⋯H = 1.88 Å) is also observed. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds into inversion dimers. The crystal packing also features C-H⋯π inter-actions.

| S-EPMC3414975 | biostudies-literature

4,6-Dibromo-2,3-dimethyl-phenol.

Project description:The mol-ecule of the title compound, C(8)H(8)Br(2)O, is approximately planar with a maximum deviation of 0.063 (1) Å for one of the Br atoms. In the crystal, adjacent mol-ecules are joined inter-molecular O-H⋯O hydrogen bonds, forming chains parallel to [010]. The structure also features a short Br⋯Br inter-action of 3.362 (1) Å.

| S-EPMC3051919 | biostudies-literature

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