Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ACCESS DATA

Json Xml

Publications

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

Yu Wenying W Li Chenglong C

Acta crystallographica. Section E, Structure reports online 20130206 Pt 3

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. ...[more]

PMID: 23476546

Similar Datasets

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.

| S-EPMC4719927 | 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

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.

| S-EPMC3414992 | biostudies-literature

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

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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data