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1-Methyl-4-(4-nitro-benzo-yl)pyridinium perchlorate.

ABSTRACT: In the main mol-ecule of the title compound, C(13)H(11)N(2)O(3) (+)·ClO(4) (-), the two aromatic rings are twisted by 56.19?(3)° relative to each other and the nitro group is not coplanar with the benzene ring [36.43?(4)°]. The crystal packing is dominated by infinite aromatic stacks in the a-axis direction. These are formed by the benzene units of the mol-ecule featuring an alternating arrangement, which explains the two different distances of 3.3860?(4) and 3.4907?(4)?Å for the aromatic units (these are the perpendicular distances of the centroid of one aromatic ring on the mean plane of the other other aromatic ring). Adjacent stacks are connected by ?-? stacking between two pyridinium units [3.5949?(4)?Å] and weak C-H?O inter-actions. The perchlorate anions are accomodated in the lattice voids connected to the cation via weak C-H?O contacts between the O atoms of the anion and various aromatic as well as methyl H atoms.

SUBMITTER: Gruber T

PROVIDER: S-EPMC3200796 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-(3-Methyl-benzo-yl)-2-nitro-benzene-sulfonamide.

Project description:In the title compound, C(14)H(12)N(2)O(5)S, the conformation between the N-H group and the ortho-nitro group in the sulfonyl benzene ring is syn and that between the C=O and meta-methyl groups in the benzoyl ring is anti. The mol-ecule is twisted at the S-N bond with a torsion angle of 64.3?(2)°. The dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 75.73?(7)° and that between the sulfonyl and benzoyl benzene rings is 89.5?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O(S) hydrogen bonds.

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N-(4-Methyl-benzo-yl)-2-nitro-benzene-sulfonamide.

Project description:The asymmetric unit of the title compound, C(14)H(12)N(2)O(5)S, contains two independent mol-ecules. The dihedral angles between the aromatic rings are 82.03?(9) and 79.47?(8)° in the two independent mol-ecules. In the crystal, the two mol-ecules in the asymmetric unit are linked into dimers via pairs of N-H?O(S) hydrogen bonds to generate C(4) chains.

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4-Methyl-N-(4-nitro-benzo-yl)benzene-sulfonamide.

Project description:In title compound, C(14)H(12)N(2)O(5)S, the dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 81.5?(2)° and that between the sulfonyl and the benzoyl benzene rings is 89.8?(1)°. In the crystal, mol-ecules are linked into chains along the b axis via inter-molecular N-H?O hydrogen bonds. C-H?O inter-actions are also observed.

| S-EPMC3100041 | biostudies-literature

2-Methyl-N-(4-nitro-benzo-yl)benzene-sulfonamide.

Project description:In the title compound, C(14)H(12)N(2)O(5)S, the conformation of the N-C bond in the C-SO(2)-NH-C(O) segment has gauche torsions with respect to the S=O bonds. The mol-ecule is twisted at the S atom, the C-S(O(2))-NH-C(O) torsion angle being 61.8?(5)°. The dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 86.8?(2)° and that between the sulfonyl and the benzoyl benzene rings is 83.8?(2)°. In the crystal, mol-ecules are linked into zigzag chains along the a axis via N-H?O hydrogen bonds.

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N-(4-Methyl-benzo-yl)-4-nitro-benzene-sulfonamide.

Project description:In the title compound, C(14)H(12)N(2)O(5)S, the dihedral angle between the nitro-phenyl group and the -S-NH-C-O fragment is 80.74 (17)° and that between the nitro-phenyl and methyl-phenyl groups is 87.66 (14)°. The C-S-N-C torsion angle at the S-N bond is -67.0 (3)°. In the crystal, mol-ecules are linked into C(4) chains via N-H⋯O hydrogen bonds.

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N-(3-Methyl-phen-yl)-N'-(4-nitro-benzo-yl)thio-urea.

Project description:Two mol-ecules of the title compound, C(15)H(13)N(3)O(3)S, are linked by an inter-molecular N-H?S hydrogen bond. There is also an intra-molecular N-H?O hydrogen bond, forming a six-membered ring. The steric restriction of the m-methyl and p-nitro groups, as well as the intra-molecular hydrogen bond, are the main factors influencing the mol-ecular conformation.

| S-EPMC2959244 | biostudies-literature

3-(Ammonio-methyl)-pyridinium bis-(perchlorate).

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1-Ethyl-1-methyl-3-(2-nitro-benzo-yl)thio-urea.

Project description:In the title compound, C(11)H(13)N(3)O(3)S, the benzene ring is twisted relative to the amidic fragment, forming a dihedral angle of 27.26?(9)°. The thiono and carbonyl groups are trans with respect to the C-N bond. Inter-molecular N-H?S and C-H?O hydrogen bonds link the mol-ecules in the crystal structure.

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2-Amino-3-nitro-pyridinium perchlorate.

Project description:The title compound, C(5)H(6)N(3)O(2) (+)·ClO(4) (-), is comprised of discrete perchlorate anions and 2-amino-3-nitro-pyridinium cations. The anion has a typical tetra-hedral geometry while the cation presents a nearly planar [maximum deviation = 0.007?(8)?Å] pyridinium ring. Undulating [C(5)H(6)N(3)O(2) (+)](n) chains extending along the c-axis direction are linked via N-H?O hydrogen bonds. The cations are further connected to the anions by N-H?O hydrogen bonds and weak C-H?O inter-actions, leading to the formation of a three-dimensional network.

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Crystal structure of 1-[(1-methyl-5-nitro-1H-imidazol-2-yl)meth-yl]pyridinium iodide.

Project description:In the title salt, C10H11N4O2 (+)·I(-), the asymmetric unit consists of a pyridinium cation bearning a (1-methyl-5-nitro-1H-imidazol-2-yl)methyl group at the N position and an iodide anion. The imidazole ring is quasiplanar, with a maxiumum deviation of 0.0032?(16)?Å, and forms a dihedral angle of 67.39?(6)° with the plane of the pyridinium ring. The crystal packing can be described as alternating zigzag layers of cations parallel to the (001) plane, which are sandwiched by the iodide ions. The structure features two types of hydrogen bonds (C-H?O and C-H?I), viz. cation-anion and cation-cation, which lead to the form ation of a three-dimensional network.

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