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4-Nitro-phenyl N-(2-sulfamoylphen-yl)carbamate.

ABSTRACT: In the title mol-ecule, C13H11N3O6S, the dihedral angle between the benzene rings is 35.52?(8)°. An intra-molecular N-H?O hydrogen bond forms an S(6) ring. In the crystal, mol-ecules are linked via N-H?O hydrogen bonds into chains along [101] incorporating R2(2)(8) and R2(2)(16) rings.

SUBMITTER: Yu W

PROVIDER: S-EPMC3588507 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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Crystal structures of 4-chloro-phenyl N-(3,5-di-nitro-phen-yl)carbamate and phenyl N-(3,5-di-nitro-phen-yl)carbamate.

Project description:The title compounds, C13H8ClN3O6, (I), and C13H9N3O6, (II), differ in the orientation of the two aromatic rings. In (I), they are essentially coplanar, making a dihedral angle of 8.2 (1)°, while in (II), they are inclined to one another by 76.2 (1)°. The two nitro groups are essentially coplanar with the attached benzene rings, as indicated by the dihedral angles of 1.4 (2) and 2.3 (2)° in (I), and 4.96 (18) and 5.4 (2)° in (II). The carbamate group is twisted slightly from the attached benzene ring, with a C-N-C-O torsion angle of -170.17 (15)° for (I) and 168.91 (13)° for (II). In the crystals of of both compounds, mol-ecules are linked via N-H⋯O hydrogen bonds, forming chains propagating along [010]. In (I), C-H⋯O hydrogen bonds also link mol-ecules within the chains. The crystal packing in (I) also features a very weak π-π inter-action [centroid-centroid distance = 3.7519 (9) Å].

| S-EPMC4518992 | biostudies-literature

Crystal structure of phenyl N-(4-nitro-phen-yl)carbamate.

Project description:The asymmetric unit of the title compound, C13H10N2O4, contains two independent mol-ecules (A and B). The dihedral angle between the aromatic rings is 48.18 (14)° in mol-ecule A and 45.81 (14)° in mol-ecule B. The mean plane of the carbamate N-C(=O)-O group is twisted slightly from the attached benzene and phenyl rings, making respective dihedral angles of 12.97 (13) and 60.93 (14)° in A, and 23.11 (14) and 59.10 (14)° in B. In the crystal, A and B mol-ecules are arranged alternately through N-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming chains along the a axis. The chains are further linked by C-H⋯O hydrogen bonds into a double-chain structure.

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4-Nitro-phenyl N-phenyl-carbamate.

Project description:The title compound, C(13)H(10)N(2)O(4), was synthesized as an inter-mediate for the preparation of ureas. The two aromatic rings are twisted about the central carbamate group with a C-C-N-C torsion angle of 139.6 (2)° and a C-C-O-C torsion angle of 95.9 (2)°. The mol-ecules are linked into one-dimensional chains by N-H⋯O hydrogen bonds along the b axis. Weak inter-actions between O atoms of the nitro groups (O⋯O = 3.012 Å) connect two adjacent chains.

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Phenyl N-(5-chloro-2-nitro-phenyl)carbamate.

Project description:In the title compound, C(13)H(9)ClN(2)O(4), the dihedral angle between the benzene rings is 79.5 (1)°. The mean plane of the carbamate group makes angles of 7.4 (2) and 73.6 (2)° with the mean planes of the two benzene rings. In the crystal, weak C-H⋯O inter-actions are observed between the mol-ecules, connecting them into a two-dimensional network.

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4-Nitro-phenyl N-(2-isopropyl-thia-zol-4-ylmeth-yl)-N-methyl-carbamate.

Project description:In the title compound, C(15)H(17)N(3)O(4)S, the benzene and thia-zole rings are oriented at a dihedral angle of 74.10 (3)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds are found.

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Methyl N-(4-nitro-phen-yl)carbamate.

Project description:In the title mol-ecule, C(8)H(8)N(2)O(4), the nitro and meth-oxy-carbonyl groups are twisted from the plane of aromatic ring by 5.1?(1) and 6.2?(1)°, respectively. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules related by translation along the b axis into chains. Weak inter-molecular C-H?O inter-actions link further these chains into sheets parallel to the bc plane.

| S-EPMC3120399 | biostudies-literature

Phenyl N-(p-tol-yl)carbamate.

Project description:The asymmetric unit of the title compound, C(14)H(13)NO(2), contains two crystallographically independent mol-ecules, in which the aromatic rings are oriented at dihedral angles of 59.01?(3) and 56.98?(3)°. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains.

| S-EPMC2969509 | biostudies-literature

Phenyl N-(4-fluorophen-yl)carbamate.

Project description:The asymmetric unit of the title compound, C(13)H(10)FNO(2), contains two crystallographically independent mol-ecules. The aromatic rings are oriented at dihedral angles of 61.77 (3) and 53.94 (3)° in the two mol-ecules. An N-H⋯O hydrogen bond links the mol-ecules. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains. Weak C-H⋯π inter-actions are also present.

| S-EPMC2977719 | biostudies-literature

2-[(Phenyl-carbamo-yl)amino]-butyl N-phenyl-carbamate.

Project description:In the title compound, C(18)H(21)N(3)O(3), the terminal phenyl rings make a dihedral angle of 86.3?(5)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into chains along [001], forming parallel C(4) and R(1) (2)(6) graph-set motifs.

| S-EPMC3470254 | biostudies-literature

Phenyl N-(4-methoxy-phen-yl)carbamate.

Project description:The asymmetric unit of the title compound, C(14)H(13)NO(3), contains two crystallographically independent mol-ecules, in which the aromatic rings are oriented at dihedral angles of 75.64?(3) and 83.14?(3)°. An N-H?O hydrogen bond links the two mol-ecules. Weak intramolecular C-H?O inter-actions are observed in the two mol-ecules. In the crystal structure, inter-molecular N-H?O and C-H?O inter-actions link the mol-ecules into a two-dimensional network.

| S-EPMC2977260 | biostudies-literature

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