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Methyl 3-[(3,5-dichloro-anilino)carbon-yl]propionate.

ABSTRACT: In the title compound, C(11)H(11)Cl(2)NO(3), the amide O atom and the carbonyl O atom of the ester segment are anti to each other and anti to the H atoms of the adjacent -CH(2) groups. In the crystal structure, mol-ecules are packed into centrosymmetric dimers through inter-molecular N-H⋯O hydrogen bonds. The dimers are linked into a layer structure extending parallel to (02) by C-H⋯O hydrogen bonds.

SUBMITTER: Saraswathi BS

PROVIDER: S-EPMC2979985 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-[(3,5-Dichloro-anilino)carbon-yl]propionic acid.

Project description:In the crystal structure of the title compound, C(10)H(9)Cl(2)NO(3), the conformations of the amide O atom and the carbonyl O atom of the acid segment are anti to the H atoms of the adjacent -CH(2) groups. The C=O and O-H bonds of the acid group are in relatively rare anti positions with respect to each other. This is an obvious consequence of the concerted effects of both the all-anti mol-ecular conformation and the intermolecular hydrogen bond donated to the amide carbonyl group. In the crystal, mol-ecules are packed into infinite chains through inter-molecular N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2968869 | biostudies-literature

5-[(3,5-Dichloro-anilino)meth-yl]-N-(3,5-dichloro-phen-yl)-6-methyl-2-phenyl-pyrimidin-4-amine.

Project description:In the title compound, C24H18Cl4N4, the pyrimidine ring makes dihedral angles of 19.1 (2), 4.1 (2) and 67.5 (2)°, respectively, with phenyl and two benzene rings, and the mol-ecular conformation is stabilized by an intra-molecular N-H⋯N hydrogen bond closing a six-membered ring with an S(6) motif. In the crystal, a pair of inter-molecular N-H⋯N hydrogen bonds connect two mol-ecules, forming inversion dimers with R2(2)(12) motifs. C-H⋯π inter-actions links the dimers into a chain running along the a-axis direction. There are also π-π stacking inter-actions [centroid-centroid distance = 3.666 (4) Å] between the benzene rings of adjacent chains.

| S-EPMC3588999 | biostudies-literature

Methyl 2-[2-(2,6-dichloro-4-nitro-anilino)-3,5-dinitro-phen-yl]acetate.

Project description:In the title compound, C(15)H(10)Cl(2)N(4)O(8), the methyl-acetate and dichloro-anilinic groups are oriented at dihedral angles of 57.73 (8) and 62.44 (4)°, respectively to the dinitro-sustituted benzene ring. S(5) and S(7) rings are formed due to intra-molecular N-H⋯Cl and N-H⋯O hydrogen bonds, respectively. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into C(8) chains along the a axis. Further C-H⋯O and N-H⋯O hydrogen bonds link these chains in pairs, forming a polymeric network.

| S-EPMC3100048 | biostudies-literature

N-(3,5-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(13)H(11)Cl(2)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment is gauche with respect to the SO bonds. The two benzene rings are tilted by 79.6?(1)° relative to each other. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur.

| S-EPMC2970379 | biostudies-literature

4-Chloro-N-(3,5-dichloro-phen-yl)-2-methyl-benzene-sulfonamide.

Project description:In the title compound, C(13)H(10)Cl(3)NO(2)S, torsion angle of the C-SO(2)-NH-C group in the mol-ecule is -58.57?(26)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 84.2?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC3247457 | biostudies-literature

3,5-Dichloro-N-(2-methyl-but-3-yn-2-yl)benzamide.

Project description:In the title compound, C(12)H(11)Cl(2)NO, the amide group is twisted by a dihedral angle of 31.98?(2)° with respect to the benzene ring. In the crystal structure, mol-ecules are linked via N-H?O hydrogen bonds, forming one-dimensional supra-molecular chains.

| S-EPMC2980071 | biostudies-literature

(2E)-2-(2,4-Dichloro-phenyl-sulfon-yl)-3-(3-methoxy-anilino)-3-(methyl-sulfan-yl)acrylonitrile.

Project description:The title compound, C(17)H(14)Cl(2)N(2)O(3)S(2), and the 4-methyl-anilino analogue reported in the following paper have been used as starting materials to develop benzothia-zine derivatives with anti-malarial activity. The mol-ecule displays an E (trans) configuration about the central double bond. Due to conjugation in the C=C-C N group, the putative single bond shows a significant shortening [1.421 (3) Å]. The mol-ecule has a six-membered ring involving an intra-molecular N-H⋯O(sulfon-yl) bond, which is an example of resonance-assisted hydrogen bonding. There is also an intra-molecular N-H⋯Cl hydrogen bond. In the crystal structure, bonds of the C-H⋯O(sulfon-yl) type form chains that run along [101], while N-H⋯O(sulfon-yl) bonds connect centrosymmetrically related molecules in pairs of these chains, forming ribbons. Comparison of the N⋯O distances in the intra- and inter-molecular N-H⋯O(sulfon-yl) bonds reveals that the π-bond co-operativity results in a strengthening of the intra-molecular hydrogen bond. There are also π-π inter-actions between benzene rings of pairs of centrosymmetrically related mol-ecules [centroid-centroid distance = 3.8612 (13) Å], as well as C-H⋯π interactions.

| S-EPMC2961343 | biostudies-literature

Diclomezine: 6-(3,5-dichloro-4-methyl-phen-yl)pyridazin-3(2H)-one.

Project description:In the title compound, C(11)H(8)Cl(2)N(2)O, the benzene and pyridazine rings are tilted by 8.6?(1)° relative to each other. In the crystal, pairs of inter-molecular N-H?O hydrogen bonds form centrosymmetric dimers. ?-? contacts with centroid-centroid distances of 3.698?(2) and 3.751?(1)?Å and halogen-halogen inter-actions [3.379?(1)?Å] also stabilize the structure.

| S-EPMC3011476 | biostudies-literature

N'-[(1E)-(3,5-Dichloro-2-hydroxy-phen-yl)(phen-yl)methyl-ene]-4-methoxy-benzohydrazide.

Project description:The title compound, C(21)H(15)Cl(2)N(2)O(3), displays a trans configuration with respect to the C=N double bond. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond.

| S-EPMC2915261 | biostudies-literature

3,5-Dichloro-phenyl 4-methyl-benzoate.

Project description:The structure of the title compound, C(14)H(10)Cl(2)O(2), resembles those of 3-chloro-phenyl 4-methyl-benzoate, 2,6-dichloro-phenyl 4-methyl-benzoate and 2,4-dichloro-phenyl 4-methyl-benzoate, with similar bond parameters. The dihedral angle between the benzene and benzoyl rings is 48.81 (6)°.

| S-EPMC2962169 | biostudies-literature

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