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Methyl 2-methyl-3,5-dinitro-benzoate.

ABSTRACT: In the title compound, C(9)H(8)N(2)O(6), the methyl ester group is almost planar (r.m.s. deviation = 0.002 Å) and is oriented at a dihedral angle of 24.27 (16)° with respect to the benzene ring. The nitro groups make dihedral angles of 4.2 (5)° and 60.21 (11)° with the benzene ring. In the crystal, mol-ecules are linked by C-H⋯O inter-actions, resulting in zigzag chains.

SUBMITTER: Raza AR

PROVIDER: S-EPMC2979943 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Methyl 4-chloro-3,5-dinitro-benzoate.

Project description:In the mol-ecule of the title compound, C(8)H(5)ClN(2)O(6), the two nitro groups and the ester group make dihedral angles of 29.6?(1)°, 82.3?(1)° and 13.7?(1)°, respectively, with the benzene ring. In the crystal structure weak C-H?O inter-actions are present.

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4-Methyl-anilinium 3,5-dinitro-benzoate.

Project description:The crystal structure of the title compound, C(7)H(10)N(+)·C(7)H(3)N(2)O(6) (-), displays N-H⋯O hydrogen bonding between the ammonium groups and the O atoms of the 3,5-dinitro-benzoate anions. Inter-molecular C-H⋯O inter-actions further stabilize the packing. An O atom of each of the nitro groups is disordered over two sites with site occupancy factors of 0.59 (5) and 0.41 (6).

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Project description:In the structure of the title compound, C(11)H(12)N(2)O(6), the mol-ecules are stacked along the b axis without any π-π inter-actions. The stacked columns are linked together by non-classical inter-molecular C-H⋯O inter-actions,. In the molecule, the nitro groups make dihedral angles of 9.4 (5) and 10.3 (5)° with the benzene ring.

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Project description:In the title mol-ecular salt, C(6)H(9)N(2) (+)·C(7)H(3)N(2)O(7) (-), the 2-amino-5-methyl-pyridinium cation is essentially planar, with a maximum deviation of 0.023?(1)?Å. There is an intra-molecular O-H?O hydrogen bond in the 3,5-dinitro-salicylate anion, which generates an S(6) ring motif. In the crystal, the protonated N atom and the 2-amino group are hydrogen bonded to the carboxyl-ate O atoms via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. Weak inter-molecular C-H?O inter-actions help to further stabilize the crystal structure.

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Project description:In the title compound, C(10)H(9)ClN(2)O(6), the two nitro groups and the ester group are oriented with respect to the benzene ring at dihedral angles of 49.42?(13)/87.61?(13) and 9.10?(10)°, respectively. In the crystal structure, a weak C-H?O inter-action is present. A short Cl?O contact of 2.972?(2)?Å is also observed in the crystal structure.

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Project description:In the title compound, C(9)H(7)ClN(2)O(6), the nitro groups and the ester group make dihedral angles of 44.0?(1), 89.6?(1) and 164.1?(1)°, respectively, with the benzene ring. In the crystal, mol-ecules are linked through weak C-H?O hydrogen-bonding inter-actions. Mol-ecules are stacked via ?-? inter-actions about inversion centers, with a centroid-centroid distance of 3.671?(2)?Å.

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Project description:In the title compound, C(8)H(12)NO(+)·C(7)H(3)N(2)O(6) (-), the anilinium and hydroxyl protons of the cation result in N-H?O, N-H?(O,O) and O-H?O hydrogen-bonding inter-actions with carboxyl-ate O-atom acceptors, forming a two-dimensional network structure. An intermolecular C-H?O interaction is also present.

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N-Methyl-3,5-dinitro-benzamide.

Project description:The asymmetric unit of the title compound, C(8)H(7)N(3)O(5), contains two independent mol-ecules in which the amide plane is oriented at dihedral angles of 29.82?(2) and 31.17?(2)° with respect to the benzene ring. In the crystal, mol-ecules are connected via inter-molecular N-H?O hydrogen bonds, forming chains running along the b axis.

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