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

ABSTRACT: 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.

SUBMITTER: Zou BH

PROVIDER: S-EPMC3414992 | biostudies-literature |

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

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.

| S-EPMC2960206 | 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

2-Amino-5-nitro-phenyl 2-chloro-phenyl ketone.

Project description:In the title compound, C(13)H(9)ClN(2)O(3), an intra-molecular hydrogen bond between the carbonyl O and an amine H atom from the 2-amino-benzoyl group stabilizes the mol-ecule, keeping these two groups nearly in the same plane [dihedral angle 14.6?(6)°]. The dihedral angle between the mean planes of the planar 2-amino-benzoyl and 2-chloro-benzoyl groups is 73.8?(6)°. The crystal packing is stabilized by a collection of inter-mediate hydrogen-bonding inter-actions which forms an infinite N-H?O?H-N-H?O hydrogen-bonded chain along the c axis in concert with weak N-H?Cl inter-actions in the same direction, producing a two-dimensional inter-molecular bonding network parallel to (001). Additional weak C-Cl?Cg [Cl?Cg = 3.858?(3)?Å] and N-O?Cg [O?Cg = 3.574?(1) and 3.868?(6)?Å] ?-ring inter-actions provide added support to the crystal stability. A MOPAC computational calculation gives support to these observations.

| S-EPMC2977436 | 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.

| S-EPMC4719927 | biostudies-literature

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

Project description: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.

| S-EPMC2967962 | biostudies-literature

2,4,6-Tri-nitro-phenyl 3-chloro-benzoate.

Project description: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, mol-ecules are linked by weak C-H⋯O inter-actions, forming helical chains along [101] and [100].

| S-EPMC3685104 | biostudies-literature

Phenyl N-[4-chloro-3-(trifluoro-meth-yl)phen-yl]carbamate.

Project description:In the mol-ecule of the title compound, C(14)H(9)ClF(3)NO(2), the aromatic rings are oriented at a dihedral angle of 66.49?(3)°. Intra-molecular C-H?F and C-H?O inter-actions result in the formation of one planar five- and one non-planar six-membered ring. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains.

| S-EPMC2968454 | biostudies-literature

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

Project description: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, mol-ecules are linked by weak C-H?O hydrogen bonds, forming C(7) chains, which run along [100].

| S-EPMC3885061 | biostudies-literature

Phenyl N-phenyl-carbamate.

Project description:In the title compound, C(13)H(11)NO(2), the aromatic rings are oriented at a dihedral angle of 42.52 (12)°. The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen bonds, which form infinite one-dimensional polymeric chains extending along the a axis. C-H⋯π inter-actions between the aromatic rings are also present.

| S-EPMC2969800 | biostudies-literature

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