Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Benzoyl-4-chloro-aniline thio-semi-carbazone.

ABSTRACT: In the title compound, C14H13ClN4S, obtained from a reaction of 2-benzoyl-4-chloro-aniline with thio-semicarbazide in ethanol, the dihedral angle between the aromatic rings is 81.31 (13)°. In the crystal, the mol-ecules are linked by three N-H⋯S hydrogen bonds, forming centrosymmetric rings with set-graph motif R 2 (2)(8) and R 2 (2)(18), and resulting in the formation of a two-dimensional network lying parallel to (010).

SUBMITTER: Bandeira KC

PROVIDER: S-EPMC4051094 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Benzoyl-4-chloro-aniline thio-semi-carbazone.

Bandeira Katlen C T KC Bresolin Leandro L Lehmann Ueslei Z UZ Zambiazi Priscilla J PJ de Oliveira Adriano Bof AB

Acta crystallographica. Section E, Structure reports online 20140517 Pt 6

In the title compound, C14H13ClN4S, obtained from a reaction of 2-benzoyl-4-chloro-aniline with thio-semicarbazide in ethanol, the dihedral angle between the aromatic rings is 81.31 (13)°. In the crystal, the mol-ecules are linked by three N-H⋯S hydrogen bonds, forming centrosymmetric rings with set-graph motif R 2 (2)(8) and R 2 (2)(18), and resulting in the formation of a two-dimensional network lying parallel to (010). ...[more]

PMID: 24940260

Similar Datasets

Ferrocene-1-carbaldehyde thio-semi-carbazone.

Project description:The asymmetric unit of the title compound, [Fe(C(5)H(5))(C(7)H(8)N(3)S)], consists of two crystallographically independent mol-ecules, A and B. The cyclo-penta-dienyl (Cp) rings in both mol-ecules adopt an eclipsed conformation and are parallel to each other, forming dihedral angles of 2.5 (3) and 1.1 (3)°, respectively. The mean plane of the semicarbazone group is coplanar with the attached Cp ring in mol-ecule A, whereas it is twisted away in mol-ecule B. In the crystal structure, inter-molecular N-H⋯S hydrogen bonds link the mol-ecules into two-dimensional planes parallel to the ab plane. The structure is further consolidated by C-H⋯π inter-actions.

| S-EPMC2979593 | biostudies-literature

4-Methyl-benzaldehyde thio-semi-carbazone.

Project description:The title compound, C(9)H(11)N(3)S, was prepared by reacting 4-methyl-benzaldehyde with thio-semicarbazide. An intra-molecular N-H⋯N hydrogen bond helps to establish the observed mol-ecular conformation. The crystal packing is realized by inter-molecular N-H⋯S hydrogen bonds.

| S-EPMC2969930 | biostudies-literature

3-Methoxy-benzaldehyde thio-semi-carbazone.

Project description:The title compound, C(9)H(11)N(3)OS, was prepared by the reaction of 3-methoxy-benzaldehyde and thio-semicarbazide. The benzyl-idene ring and the thio-semicarbazone fragment are slightly twisted, making a dihedral angle of 14.1 (1)°. A weak intra-molecular N-H⋯N hydrogen bond may influence the conformation of the mol-ecule. Inter-molecular N-H⋯S hydrogen bonds build up a three-dimensional network.

| S-EPMC2968893 | biostudies-literature

3,4-Dihydroxy-benzaldehyde thio-semi-carbazone.

Project description:The asymmetric unit of the title compound, C(8)H(9)N(3)O(2)S, contains three independent mol-ecules which are stacked approximately over each other. In the crystal structure, centrosymmetric pairs of mol-ecules are formed through inter-molecular hydr-oxy-hydr-oxy O-H⋯O and hydr-oxy-sulfur O-H⋯S hydrogen bonds which are, in turn, linked into a two-dimensional network by N-H⋯O(hydr-oxy) hydrogen bonds.

| S-EPMC2961592 | biostudies-literature

Pyridine-2-carbaldehyde thio-semi-carbazone.

Project description:The asymmetric unit of the title compound, C(7)H(8)N(4)S, contains two independent mol-ecules with slightly different conformations; the dihedral angles between the pyridine ring and mean plane of the thio-semicarbazone unit in the two mol-ecules are 2.88 (5) and 6.30 (5)°. Inter-molecular N-H⋯N and N-H⋯S hydrogen bonds link the mol-ecules into layers parallel to the ab plane.

| S-EPMC2968221 | biostudies-literature

4-Cyano-benzaldehyde thio-semi-carbazone.

Project description:The mol-ecule of the title compound, C(9)H(8)N(4)S, adopts an E configuration about both the C=N and C-NH bonds. In the crystal structure, adjacent mol-ecules are linked by inter-molecular N-H⋯S hydrogen-bonding inter-actions, forming chains running parallel to the b axis.

| S-EPMC2968031 | biostudies-literature

1-(Thio-phen-2-yl)ethanone thio-semi-carbazone.

Project description:The title compound, C(7)H(9)N(3)S(2), crystallizes with two unique mol-ecules in the unit cell, both present as thio-semicarbazide tautomers. The mol-ecules differ principally in the dihedral angles between the thio-phene ring planes and the planes through the non-H atoms of the hydrazinecarbothio-amide units, viz. 9.80 (8)° for one mol-ecule and 19.37 (7)° for the other. The hydrazinecarbothio-amide units are reasonably planar, with r.m.s. deviations of 0.001Å for each of the mol-ecules. In the crystal, N-H⋯S hydrogen bonds link like mol-ecules into R(2) (2)(8) inversion dimers. A three-dimensional network structure is generated by additional N-H⋯S hydrogen bonds and weak C-H⋯S contacts between the unique mol-ecules.

| S-EPMC3089127 | biostudies-literature

1H-Indole-3-carbaldehyde thio-semi-carbazone.

Project description:The mol-ecules of the title compound, C(10)H(10)N(4)S, are linked by N-H(indole)⋯S hydrogen bonds to form a linear hydrogen-bonded chain. There are two independent mol-ecules in the asymmetric unit.

| S-EPMC2961326 | biostudies-literature

Ferrocene-1-carbaldehyde 4-ethyl-thio-semi-carbazone.

Project description:The asymmetric unit of title compound, [Fe(C(5)H(5))(C(9)H(12)N(3)S)], contains two crystallographically independent mol-ecules, A and B. The two cyclo-penta-dienyl (Cp) rings are parallel to each other in both mol-ecules, forming dihedral angles of 2.3 (3) and 1.0 (3)°, respectively, and adopt an eclipsed conformation. The mean plane of the semicarbazone group is twisted slightly away from the attached Cp ring in both mol-ecules, the dihedral angles between the mean plane and the Cp ring being 15.3 (2) and 10.8 (2)°. The ethyl group in mol-ecule A is coplanar with the mean plane of the semicarbazone group [C-N-C-C torsion angle = -175.2 (4)°], whereas it is nearly perpendicular in mol-ecule B [C-N-C-C torsion angle = 84.8 (6)°]. In the crystal structure, inter-molecular N-H⋯S hydrogen bonds link the mol-ecules into dimers. These dimers are further linked into chains via inter-molecular C-H⋯S hydrogen bonds. The crystal studied was a non-merohedral twin with a refined ratio of the twin components of 0.265 (2):0.735 (2).

| S-EPMC2979492 | biostudies-literature

2-Acetyl-pyrazine 4-methyl-thio-semi-carbazone.

Project description:The title compound, C(8)H(11)N(5)S, has been prepared by the reaction of 2-acetyl-pyrazine with 4-methyl-3-thio-semi-carbazide. It exists in the thione form and adopts the E configuration. The mol-ecules are connected by the inter-molecular N-H⋯N and N-H⋯S inter-actions.

| S-EPMC2915049 | 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