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N-(4-Methyl-benz-yl)-3-nitro-anilinium chloride.

ABSTRACT: The cation of the title compound, C(14)H(15)N(2)O(2) (+)·Cl(-), comprises two almost ideally planar systems, 3-nitro-phenyl (r.m.s. deviation = 0.0117 Å) and 4-methyl-phenyl (r.m.s. deviation = 0.238 Å), separated by the central C-N bond, and with their mean planes inclined to one another by 61.36 (5)°. In the crystal, hydrogen-bonded chains running along [001] are generated by connecting neighbouring mol-ecules via N-H⋯Cl hydrogen bonds and consolidated by C-H⋯Cl and C-H⋯O inter-actions. Within these chains, fused R(2) (1)(6) and R(3) (2)(10) ring motifs are formed. Parallel chains are further linked into a two-dimensional network parallel to (100) via C-H⋯O inter-actions.

SUBMITTER: Dakovic M

PROVIDER: S-EPMC3393960 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Hy-droxy-N-(4-meth-oxy-benz-yl)-4-nitro-anilinium chloride.

Project description:The crystal structure of the title compound, C(14)H(15)N(2)O(4) (+)·Cl(-), can be described as being composed of layers containing both cations and anions that are staggered along [010]. Two types of the hydrogen bonds are observed, viz. cation-anion and cation-cation. The chloride anions are acceptors of the strong hydrogen bonds donated by the secondary amine and the hy-droxy groups. The packing is also stabilized by weak C-H?O inter-molecular hydrogen bonds. An intra-molecular N-H?O inter-action also occurs.

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Project description:In the cation of the title compound, C(14)H(13)N(2)O(+)·Cl(-), the two benzene rings are roughly parallel and are twisted slightly from each other by a dihedral angle of only 2.87?(1)°. In the crystal, weak inter-molecular N-H?Cl and O-H?Cl hydrogen bonds link the cations and anions into chains extended along the b axis.

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Project description:The mol-ecule of the title thia-diazole derivative, C(11)H(11)N(3)O(2)S(2), has a butterfly-like structure and the whole mol-ecule is disordered with a site-occupancy ratio of 0.629?(4):0.371?(4). The mol-ecule is disordered in such a way that the 3-methyl-4-nitro-phenyl units of the major and minor components are approximately related by 180° rotation around the C-N bond axis. The dihedral angle between the 1,3,4-thia-diazole and benzene rings is 70.8?(4)° in the major component and 74.9?(6)° in the minor component. In the crystal, mol-ecules are arranged into screw chains along the c axis. These chains are stacked along the b axis. Weak inter-molecular C-H?O and C-H?? inter-actions and a short C?O contact [3.005?(7)?Å] are present.

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4-(Cyano-meth-yl)anilinium chloride.

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3-Chloro-2-methyl-anilinium chloride monohydrate.

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