Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Chloro-N-[N-(furan-2-carbon-yl)hydrazinocarbo-thio-yl]benzamide.

ABSTRACT: In the title compound C13H10ClN3O3S, the benzoyl group maintains its trans conformation against the thiono group about the C-N bond and the intra-molecular hydrogen bond between the benzoyl O atom and thio-amide H atom. In the crystal, N-H?O and C-H?O hydrogen bonds link the mol-ecules, forming chains along the b-axis direction. In addition, C-H?? inter-actions occur between a phenyl H atom and the furan ring.

SUBMITTER: Yamin BM

PROVIDER: S-EPMC3790427 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Chloro-N-[N-(furan-2-carbon-yl)hydrazinocarbo-thio-yl]benzamide.

Yamin Bohari M BM Yusof Diyana D Hasbullah Siti Aishah SA

Acta crystallographica. Section E, Structure reports online 20130921 Pt 10

In the title compound C13H10ClN3O3S, the benzoyl group maintains its trans conformation against the thiono group about the C-N bond and the intra-molecular hydrogen bond between the benzoyl O atom and thio-amide H atom. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules, forming chains along the b-axis direction. In addition, C-H⋯π inter-actions occur between a phenyl H atom and the furan ring. ...[more]

PMID: 24098246

Similar Datasets

3-{[(Di-benzyl-carbamo-thio-yl)amino]-carbon-yl}benzamide.

Project description:Two independent mol-ecules with quite similar conformations, A and B, comprise the asymmetric unit of the title compound, C23H21N3O2S. The terminal amide substituent is coplanar with the attached benzene ring [the O-C-C-C torsion angles are 174.0?(2) (A) and 6.3?(3)° (B)]. In the same way, the central amide group [C-C-C-O = 7.8?(3) (A) and 11.5?(3)° (B)] is approximately coplanar with the ring to which it is attached. A major twist is noted between the amide and adjacent thio-amide residues [C-N-C-S = -109.29?(19) (A) and -112.29?(19)° (B)]. In the crystal, supra-molecular chains along [100] are formed by N-H?O and N-H?S hydrogen bonding. These are connected into a three-dimensional architecture by C-H?? and ?-? inter-actions [inter-centroid distance = 3.9157?(12)?Å].

| S-EPMC3770439 | biostudies-literature

3-({[Bis(2-methyl-prop-yl)carbamo-thio-yl]amino}-carbon-yl)benzamide.

Project description:In the title compound, C17H25N3O2S, the terminal and central amide groups are, respectively, twisted and coplanar with the attached benzene ring [O-C-C-C torsion angles = 22.7?(3) and 5.4?(3)°]. In the central part of the mol-ecule, the amide and thio-amide residues are approximately perpendicular [C-N-C-S torsion angle = -104.98?(18)°]. Supra-molecular layers with a zigzag topology are formed in the crystal packing by N-H?O, N-H?S and C-H?O inter-actions; these stack along c, being separated by hydro-phobic inter-actions.

| S-EPMC3770438 | biostudies-literature

2,4-Di-chloro-N-[eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]benzamide.

Project description:In the title compound, C12H14Cl2N2O2S, the mol-ecule adopts a cis conformation with respect to the di-chloro-benzoyl group against the thiono group about the C-N bond. However, the di-chloro-benzene group and the thio-urea moiety are twisted by 75.41?(8)°. An intra-molecular N-H?O hydrogen bond occurs between the amido H atom and hydroxyl O atom. In the crystal, O-H?S and O-H?O hydrogen bonds link the molecules, forming chains along the b-axis direction.

| S-EPMC3914078 | biostudies-literature

4-Chloro-N-[N-(6-methyl-2-pyrid-yl)car-bamo-thio-yl]benzamide.

Project description:In the title compound, C(14)H(12)ClN(3)OS, the short exocyclic N-C bond lengths indicate resonance in the thiourea part of the mol-ecule. The title compound is stabilized by an intra-molecular N-H⋯N hydrogen bond, which results in the formation of a six-membered ring. In addition, it shows a synperiplanar conformation between the thio-carbonyl group and the pyridine group. Inter-molecular N-H⋯S and C-H⋯O inter-actions are also present.

| S-EPMC2967990 | biostudies-literature

N-(Biphenyl-4-carbon-yl)-N'-(4-chloro-phen-yl)thio-urea.

Project description:In the title compound, C(20)H(15)ClN(2)OS, the benzene rings of the biphenyl group are at an angle of 44.23?(12)°. The C(4)N(2)OS central thio-urea fragment makes dihedral angles with the benzene carbonyl and chloro-benzene rings of 55.96?(9) and 64.09?(9)°, respectively. The trans-cis geometry of the thio-urea group is stabilized by the intra-molecular hydrogen bond between the carbonyl O atom and the H atom of the cis-thio-amide. In the crystal structure, mol-ecules are linked by N-H?S and N-H?O inter-molecular hydrogen bonds to form one-dimensional chains along the c axis. C-H?? inter-actions also contribute to the stability of the mol-ecule.

| S-EPMC2915178 | biostudies-literature

3-Chloro-N-(3-chloro-phen-yl)benzamide.

Project description:In the crystal structure of the title compound, C(13)H(9)Cl(2)NO, the N-H and C=O bonds are anti to each other in the two independent mol-ecules. In one mol-ecule, the N-H bond is syn to the meta-chloro group of the attached ring; it is anti in the other mol-ecule. This relationship is also observed between the C=O bond and the meta-chloro substituent of its attached ring. The amide -NHCO- group makes dihedral angles of 31.5?(4) and 34.7?(3)° with the aniline rings; it makes dihedral angles of 37.4?(3) and 37.2?(3)° with the benzoyl rings. The two rings are nearly coplanar, with dihedral angles of 9.1?(2) and 7.3?(3)° in the two independent mol-ecules. Adjacent mol-ecules are linked into infinite chains through N-H?O hydrogen bonds.

| S-EPMC2961234 | biostudies-literature

4-Chloro-N-(2-chloro-phen-yl)benzamide.

Project description:In the mol-ecular structure of the title compound, C(13)H(9)Cl(2)NO, the amide N-C=O plane makes dihedral angles of 31.53?(8) and 36.23?(8)°, respectively, with the 4-chloro- and 2-chloro-phenyl rings. The dihedral angle between the two benzene rings is 6.25?(8)°. The mol-ecules are stacked in columns along the b axis through inter-molecular N-H?O hydrogen bonds. The columns are further connected by weak C-H?O hydrogen bonds. The compound is not isomorphous with the fluoro analogue.

| S-EPMC2959385 | biostudies-literature

3-Chloro-N-(2-chloro-phen-yl)benzamide.

Project description:In the title compound, C(13)H(9)Cl(2)NO, the meta-Cl atom in the benzoyl ring is positioned anti to the C=O bond, while the ortho-Cl atom in the aniline ring is positioned syn to the N-H bond. The two aromatic rings are almost coplanar, making a dihedral angle of 4.73?(5)°. The crystal structure is stabilized by N-H?O hydrogen bonds, which link the mol-ecules into chains along the b axis.

| S-EPMC3254408 | biostudies-literature

2-Chloro-N-(3-chloro-phen-yl)benzamide.

Project description:In the structure of the the title compound, C(13)H(9)Cl(2)NO, the N-H and C=O groups are mutually trans. Furthermore, the conformation of the C=O group is syn to the ortho-chloro group in the benzoyl ring, while the N-H bond is anti to the meta-chloro group in the aniline ring. The amide group forms dihedral angles of 89.11?(19) and 22.58?(37)°, respectively, with the benzoyl and aniline rings, while the benzoyl and aniline rings form a dihedral angle of 69.74?(14)°. The mol-ecules are linked into infinite chains through inter-molecular N-H?O hydrogen bonds.

| S-EPMC2961659 | biostudies-literature

cis-Bis{1,1-dibenzyl-3-[(furan-2-yl)carbon-yl]thio-ureato-?O,S}nickel(II).

Project description:In the title compound, [Ni(C(20)H(17)N(2)O(2)S)(2)], the Ni(II) atom is coordinated by the S and O atoms of two 1,1-dibenzyl-3-[(furan-2-yl)carbon-yl]thio-ureate ligands in a distorted square-planar geometry. The two O and two S atoms are mutually cis to each other. The Ni-S and Ni-O bond lengths lie within the range of those found in related structures. The dihedral angle between the planes of the two chelating rings is 20.33?(6)°.

| S-EPMC3100031 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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