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1,3-Bis(chloro-meth-yl)-2-methyl-5-nitro-benzene.

ABSTRACT: The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol-ecules lie on twofold axes and form offset stacks through face-to-face π-π inter-actions. Adjacent mol-ecules in each stack are related by a centre of inversion and have an inter-planar separation of 3.53 (1) Å, with a centroid-centroid distance of 3.76 (1) Å. Between stacks, there are C-H⋯O inter-actions to the nitro groups and Cl⋯Cl contacts of 3.462 (1) Å.

SUBMITTER: Shao CL

PROVIDER: S-EPMC2960992 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1,3-Bis(chloro-meth-yl)benzene.

Project description:The title compound, C8H8Cl2, used in the synthesis of many pharmaceutical inter-mediates, forms a three-dimensional network through chlorine-chlorine inter-actions in the solid-state that measure 3.513?(1) and 3.768?(3)?Å.

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1,3-Bis(bromo-meth-yl)-2-nitro-benzene.

Project description:In the title compound, C(8)H(7)Br(2)NO(2), an inter-mediate for the synthesis of macrocycles, the NO(2) group makes a dihedral angle of 65.07?(19)° with the arene ring, and the bromo-methyl substituents adopt a trans conformation about the ring such that the mol-ecule closely approximates C2 symmetry.

| S-EPMC2984041 | biostudies-literature

1-Chloro-meth-yl-3-nitro-benzene.

Project description:In the title mol-ecule, C(7)H(6)ClNO(2), the plane of the nitro group and the direction of the chloro-methyl group are twisted away from the benzene ring, forming dihedral angles of 8.2?(3) and 67.55?(12)°, respectively. In the crystal structure, weak inter-molecular C-H?O inter-actions link the mol-ecules into corrugated sheets parallel to the bc plane.

| S-EPMC2983641 | biostudies-literature

1,4-Bis[3-chloro-2-(chloro-meth-yl)prop-yl]benzene.

Project description:The title mol-ecule, C(14)H(18)Cl(4), possesses a crystallographically imposed inversion centre, which coincides with the centre of benzene ring. In the absence of classical inter-molecular inter-actions, van der Waals forces help the mol-ecules to pack in the crystal.

| S-EPMC2968677 | biostudies-literature

Bis{μ-1,3-bis-[(2-methyl-1H-benzimid-azol-1-yl)meth-yl]benzene-κN:N}bis-(diiodidocadmium).

Project description:In the title compound, [Cd(2)I(4)(C(24)H(22)N(4))(2)], the 1,3-bis-[(2-methyl-1H-benzimidazol-1-yl)meth-yl]benzene ligand bridges two CdI(2) units, forming a centrosymmetric dinuclear complex. The Cd(II) atom adopts a distorted tetra-hedral coordination geometry. In the crystal, complex mol-ecules are linked into columns parallel to [101] by π-π stacking inter-actions, with centroid-centroid distances of 3.558 (2) Å.

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{[2-Methyl-2-(phen-oxy-meth-yl)propane-1,3-di-yl]bis-(-oxy)}di-benzene.

Project description:The title compound, C23H24O3, was obtained in a one-step (60% yield) synthesis from 1,1,1-tris(hydroxymethyl)ethane. It features a tripodal ligand capable of complexing metal centres. One of the three conformations involving the methyl group, the central C-C bond and the phenoxy substituents is antiperiplanar while the two others are synclinal [the corresponding C-C-C-O torsion angles are -174.6?(1), -53.2?(2) and -47.3?(2)°]. In the crystal, C-H?O inter-actions link the molecules into [010] chains.

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1,3-Bis[(3-chloro-pyrazin-2-yl)-oxy]benzene.

Project description:The asymmetric unit of the title compound, C14H8Cl2N4O2, contains one half-mol-ecule, the complete mol-ecule being generated by the operation of a twofold rotation axis. The Cl atom deviates significantly from the plane of the pyrazine ring [0.0215?(4)?Å]. The central benzene ring makes a dihedral angle of 72.82?(7)° with the plane of the pyrazine ring.

| S-EPMC3648331 | biostudies-literature

1,3-Bis[(-)-(S)-(1-phenyl-eth-yl)imino-meth-yl]benzene.

Project description:The title compound, C(24)H(24)N(2), is an enanti-omerically pure bis-aldimine, which displays twofold crystallographic symmetry, with two C atoms of the central benzene ring lying on the symmetry axis. The imine group is slightly twisted from the benzene core, with a dihedral angle of 12.72 (16)° between the benzene ring and the C=N-C(*) plane. The terminal phenyl rings make an angle of 66.44 (4)° and are oriented in opposite directions with respect to the benzene ring. In the crystal, mol-ecules inter-act weakly through a C-H⋯π inter-action involving the phenyl rings, and form chains along the 2(1) screw-axis in the [100] direction.

| S-EPMC3151960 | biostudies-literature

1-Benz-yloxy-2,5-bis-(chloro-meth-yl)-4-meth-oxy-benzene.

Project description:In the title compound, C(16)H(16)Cl(2)O(2), the dihedral angle between the two rings is 52.65?(10)°. The two Cl atoms are trans to one another being displaced by 1.644?(5) and -1.664?(4)?Å from the plane of the benzene ring. Except for the two Cl atoms and the C atoms of the ring of the benz-yloxy group, all the other atoms of the compound lie in the same plane [maximum deviation = 0.056?(3)?Å]. In the crystal, no significant intermolecular interactions are observed.

| S-EPMC3414275 | biostudies-literature

Crystal structure of 1,3-bis-(1H-benzotriazol-1-yl-meth-yl)benzene.

Project description:The mol-ecular structure of the title compound, C20H16N6, contains two benzotriazole units bonded to a benzene nucleus in a meta configuration, forming dihedral angles of 88.74?(11) and 85.83?(10)° with the central aromatic ring and 57.08?(9)° with each other. The three-dimensional structure is controlled mainly by weak C-H?N and C-H?? inter-actions. The mol-ecules are connected in inversion-related pairs, forming the slabs of infinite chains that run along the [-110] and [110] directions.

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