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2-(1-Methyl-ethoxy)-5-nitro-phenyl N-methyl-carbamate.

ABSTRACT: In the title compound, C(11)H(14)N(2)O(5), the nitro group is approximately coplanar with the benzene ring, making a dihedral angle of 4.26 (17)°. The dihedral angle between the methyl-carbamate group and the benzene ring is 72.47 (6)°. There is a strong inter-molecular N-H⋯O hydrogen bond between the N and O atoms from adjacent methyl-carbamate groups, forming a one-dimensional network along the a axis.

SUBMITTER: Sang GM

PROVIDER: S-EPMC2967962 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

| S-EPMC2915217 | biostudies-literature

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

Project description: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.

| S-EPMC3588507 | biostudies-literature

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.

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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

Phenyl N-(2-methyl-phen-yl)carbamate.

Project description:In the title compound, C(14)H(13)NO(2), the aromatic rings attached to the O and N atoms make dihedral angles of 62.65?(9) and 38.28?(11)°, respectively, with the central carbamate group. The benzene rings are oriented at a dihedral angle of 39.22?(10)°. In the crystal, a very weak C-H?? inter-action occurs.

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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.

| S-EPMC4719927 | biostudies-literature

Crystal structure of phenyl <i>N</i>-(3,5-di-methyl-phenyl)carbamate.

Project description:The asymmetric unit of the title compound, C15H15NO2, contains two independent mol-ecules (A and B). The di-methyl-phenyl ring, the phenyl ring and the central carbamate N-C(=O)-O group are not coplanar. In mol-ecule A, the di-methyl-phenyl and phenyl rings are inclined to the carbamate group mean plane by 27.71 (13) and 71.70 (4)°, respectively, and to one another by 84.53 (13)°. The corresponding dihedral angles in mol-ecule B are 34.33 (11), 66.32 (13) and 85.48 (12)°, respectively. In the crystal, the A and B mol-ecules are arranged alternately linked through N-H⋯O(carbon-yl) hydrogen bonds, forming -A-B-A-B- chains, which extend along [100]. Within the chains and linking neighbouring chains there are C-H⋯π inter-actions present, forming columns along the a-axis direction. The columns are linked by offset π-π stacking inter-actions, forming a three-dimensional network [shortest centroid-centroid distance = 3.606 (1) Å].

| S-EPMC5458307 | biostudies-literature

4-Nitro-phenyl 2-methyl-benzoate.

Project description:The title compound, C(14)H(11)NO(4), crystallizes with two mol-ecules in the asymmetric unit. The major conformational difference between these two mol-ecules is the dihedral angle between the aromatic rings, namely 36.99 (5) and 55.04 (5)°. The nitro groups are coplanar with the phenyl rings to which they are attached, the O-N-C-C torsion angles being -1.9 (3) and 1.0 (3)° in the two mol-ecules.

| S-EPMC2971988 | biostudies-literature

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