Juan C. Tenorio

2,4,6-Trinitrophenyl 3-methylbenzoate

In the title benzoate derivative, C14H9N3O8, the benzene rings form a dihedral angle of 87.48 (5)°. The central ester unit forms an angle of 19.42 (7)° with the methylbenzene ring, indicating a significant twist. In the crystal, the molecules are linked by weak C—H⋯O interactions forming a helical chain along [010].

4-Formyl-2-nitro­phenyl 4-bromo­benzoate

In the title compound, C14H8BrNO5, the benzene rings form a dihedral angle of 62.90 (7)°. The central ester group is twisted away from the nitro-substituted and bromo-substituted rings by 71.67 (7) and 8.78 (15)°, respectively. The nitro group forms a dihedral angle of 7.77 (16)° with the benzene ring to which it is attached. In the crystal, molecules are linked by weak C—H⋯O interactions, forming C(12) chains which run along [001]. Halogen–halogen interactions [Br⋯Br = 3.523 (3) Å] within the chains stabilized by C—H⋯O interactions are observed.

4-Formyl-2-nitro-phenyl 2-chloro-benzoate.

In the title compound, C14H8ClNO5, the benzene rings form a dihedral angle of 19.55 (9)°. The mean plane of the central ester group [r.m.s. deviation = 0.024 Å] forms dihedral angles of 53.28 (13) and 36.93 (16)°, respectively, with the nitro- and chloro-substituted rings. The nitro group forms a dihedral angle of 19.24 (19)° with the benzene ring to which it is attached. In the crystal, molecules are linked by weak C—H⋯O hydrogen bonds, forming C(7) chains, which run along [100].

2,4,6-Trinitrophenyl 3-chlorobenzoate

In the title benzoate derivative, C13H6ClN3O8, the planes of the benzene rings form a dihedral angle of 73.59 (7)°. The central ester unit forms an angle of 20.38 (12)° with the chloro-substituted benzene ring. In the crystal, molecules are linked by weak C—H⋯O interactions, forming helical chains along [101] and [100].

2,4,6-Trinitro­phenyl 4-methyl­benzoate

In the title compound, C14H9N3O8, the benzene rings form a dihedral angle of 69.02 (5)°. The central ester group is rotated by 25.86 (9)° relative to the p-tolyl group. In the crystal, the molecules are linked by C—H⋯O interactions into helical chains along [010].

2,2'-(Carbono-thio-yldisulfanedi-yl)bis-(2-methyl-propanoic acid).

The molecular structure of the title compound, C9H14O4S3, exhibits intramolecular C—H⋯S hydrogen bonds. In the crystal, pairs of O—H⋯O hydrogen bonds lead to the formation of centrosymmetric dimers, which are in turn connected by weak C—H⋯O interactions. The combination of these interactions generates edge-fused R 2 2(8) and R 2 2(20) rings running along [211].

2,4,6-Trinitro­phenyl 4-chloro­benzoate

In the title benzoate derivative, C13H6ClN3O8, the planes of the benzene rings form a dihedral angle of 63.46 (5)°. The dihedral angles between the benzene ring and its nitro groups are 12.78 (16)° for the first ortho, 28.4 (4) and 17.4 (4)° for the second (disordered) ortho and 3.58 (16)° for the para nitro group. The central ester moiety, –C—(C=O)—O–, is essentially planar (r.m.s. deviation for all non-H atoms = 0.0229 Å) and forms dihedral angles of 7.37 (14)° with the chloro-substituted benzene ring and 69.85 (6)° with the trinitro-substituted benzene ring. One of the nitro groups was refined as disordered over two sets of sites with fixed site occupancies of 0.61 and 0.39. In the crystal, molecules are linked by weak C—H⋯O hydrogen bonds, forming a three-dimensional network.

Crystal structure of 4-formyl-2-nitro­phenyl 4-chloro-2-nitro­benzoate

In the title compound, C14H7ClN2O7, the central ester moiety is essentially planar, with an r.m.s. deviation of 0.0113 Å. The ester group is twisted away from the chloro- and formyl-substituted rings by 84.60 (9) and 88.55 (9)°, respectively. The crystal packing shows intermolecular C—H⋯O interactions. These interactions generate R 2 2(20) and R 4 4(22) edge-fused rings parallel to (20-2).

3-(Di-phenyl-amino)-isobenzo-furan-1(3H)-one.

In the title isobenzofuranone derivative, C20H15NO2, the planar fused-ring system (r.m.s. deviation for the 10 fitted atoms = 0.031 Å) forms dihedral angles of 63.58 (6) and 63.17 (8)° with the N-bound phenyl rings; the dihedral angle between the planes of these phenyl rings is 85.92 (7)°. In the crystal, molecules are linked by weak C—H⋯O interactions, involving both O atoms, forming helical supramolecular chains along [001].

2,4,6-Tri­nitro­phenyl 3-bromo­benzoate

In the title picryl-substituted ester, C13H6BrN3O8, the mean plane of the central ester C–O–C(=O)–C fragment (r.m.s. deviation= 0.0186 Å) is rotated by 84.73 (7)° and 19.92 (12)° to the picryl and phenyl rings, respectively. In the crystal, the molecules are linked by C—H⋯O interactions, forming centrosymmetric dimers enclosing R 2 2(10) and R 2 2(22) ring motifs along [001] and further helical chains of dimers enclosing R 2 2(10) ring motifs along [010].