Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of N'-[bis-(ethyl-sulfan-yl)methyl-idene]-2-hy-droxy-4-meth-oxy-benzohydrazide.

ABSTRACT: In the title compound, C13H18N2O3S2, the amide group is in the plane of the -benzoyl ring with a C-N-N-C torsion angle of 177.63?(12)°. The two di-thio-ate groups are in an anti conformation [torsion angles = 173.68?(8) and -9.98?(10)°]. An intra-molecular N-H?O hydrogen bond is observed. In the crystal, an O-H?O hydrogen bond and a weak C-H?O contact involving the same acceptor atom generate an S(6) ring motif and give rise to chains along [010].

SUBMITTER: Nath P

PROVIDER: S-EPMC4719926 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of N'-[bis-(ethyl-sulfan-yl)methyl-idene]-2-hy-droxy-4-meth-oxy-benzohydrazide.

Nath Paras P Bharty Manoj K MK Chaurasia Rahul R Kumari Sanyucta S Gupta Sushil K SK

Acta crystallographica. Section E, Crystallographic communications 20151121 Pt 12

In the title compound, C13H18N2O3S2, the amide group is in the plane of the -benzoyl ring with a C-N-N-C torsion angle of 177.63 (12)°. The two di-thio-ate groups are in an anti conformation [torsion angles = 173.68 (8) and -9.98 (10)°]. An intra-molecular N-H⋯O hydrogen bond is observed. In the crystal, an O-H⋯O hydrogen bond and a weak C-H⋯O contact involving the same acceptor atom generate an S(6) ring motif and give rise to chains along [010]. ...[more]

PMID: 26870554

Similar Datasets

N'-[Bis(benzyl-sulfan-yl)methyl-idene]-4-meth-oxy-benzohydrazide.

Project description:In the title compound, C(23)H(22)N(2)O(2)S(2), the dihedral angles between the 4-meth-oxy-substituted phenyl ring and the other two phenyl rings are 84.4?(4) and 77.7?(1)°, respectively, while the dihedral angle between the two phenyl rings is 57.5?(2)°. The amino group is not involved in an N-H hydrogen bond. The crystal packing is established by inter-molecular C-H?O packing inter-actions involving a relatively rare weak three-center hydrogen bond between the keto O atom and H atoms of the two nearby phenyl rings, which link the mol-ecules into chains running along the a axis. Additional weak inter-molecular hydrogen-bond inter-actions between the 4-meth-oxy O atom and one of the phenyl rings and provide added stability to the crystal packing.

| S-EPMC3007250 | biostudies-literature

N'-[1-(2-Hy-droxy-phen-yl)ethyl-idene]-2-meth-oxy-benzohydrazide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(16)H(16)N(2)O(3), in which the dihedral angles between the two aromatic rings are 13.0 (3) and 6.4 (3)°. Intra-molecular O-H⋯N and N-H⋯O hydrogen bonds are observed in both mol-ecules, forming S(6) rings in all cases.

| S-EPMC3006911 | biostudies-literature

N'-[(1E)-(2-Hy-droxy-naphthalen-1-yl)methyl-idene]-2-meth-oxy-benzohydrazide.

Project description:There are three independent mol-ecules in the asymmetric unit of the title compound, C(19)H(16)N(2)O(3), in which the dihedral angles between the naphthalene ring system and the benzene ring are 7.52?(16), 18.15?(18), and 13.9?(2)°. All the mol-ecules exist in the trans configuration with respect to the methyl-idene units. In each mol-ecule there is one O-H?N and one N-H?O intra-molecular hydrogen bond. In the crystal, two of the mol-ecules are linked via a bifurcated N-H?(O,O) hydrogen bond. All three mol-ecules are further linked via C-H?O inter-actions.

| S-EPMC3201446 | biostudies-literature

N'-(4-Hy-droxy-benzyl-idene)-3-meth-oxy-benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(3), the dihedral angle between the two benzene rings is 47.9 (3)°. In the crystal, mol-ecules are linked through N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds, forming layers parallel to the ab plane.

| S-EPMC3274989 | biostudies-literature

(E)-4-Hy-droxy-N'-(3-hy-droxy-4-meth-oxy-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title benzohydrazide derivative, C(15)H(14)N(2)O(4), exists in a trans conformation with respect to the C=N double bond and is twisted, the dihedral angle between the two benzene rings being 24.17?(6)°. The meth-oxy group is almost co-planar with respect to the attached benzene ring [C(m)-O-C-C (m = meth-yl) = -1.45?(17)°]. In the crystal, the mol-ecules are linked by N-H?O and O-H?O hydrogen bonds into sheets parallel to the bc plane. These sheets are further connected into a three-dimensional network by weak C-H?O and C-H?? inter-actions.

| S-EPMC3201407 | biostudies-literature

(E)-4-Hy-droxy-N'-(2-hy-droxy-4-meth-oxy-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(4), the dihedral angle between the benzene rings is 40.59?(4)° and an intra-molecular O-H?N hydrogen bond generates an S(6) ring. In the crystal, N-H?O, O-H?O and C-H?O inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC3394058 | biostudies-literature

(E)-4-Hy-droxy-N'-(4-hy-droxy-3-meth-oxy-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(4), the N=C double bond has an E configuration. The two benzene rings make a dihedral angle of 28.59?(6)°. In the crystal, mol-ecules are linked into a three-dimensional network by inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds and stabilized by weak C-H?? inter-actions.

| S-EPMC3011781 | biostudies-literature

(E)-N'-(3-Hy-droxy-4-meth-oxy-benzyl-idene)-4-meth-oxy-benzohydrazide.

Project description:The title mol-ecule, a benzohydrazide derivative, C(16)H(16)N(2)O(4), is twisted with a dihedral angle of 69.97?(5)° between the two benzene rings. An intra-molecular O-H?O hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked by N-H?O and weak C-H?O hydrogen bonds into a chain along the c axis. C-H?? inter-actions are also present.

| S-EPMC3239014 | biostudies-literature

(E)-4-Hy-droxy-N'-(2-meth-oxy-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(3), the dihedral angle between the benzene rings is 66.56?(5)°. In the crystal, N-H?O, O-H?O and C-H?O inter-actions link the mol-ecules into a three-dimensional network. A ?-? inter-action, with a centroid-centroid distance of 3.628?(6)?Å, helps to establish the packing.

| S-EPMC3379405 | biostudies-literature

N'-(3-Eth-oxy-2-hy-droxy-benzyl-idene)-2-hy-droxy-3-methyl-benzohydrazide.

Project description:The title compound, C(17)H(18)N(2)O(4), crystallizes with two independent mol-ecules in the asymmetric unit. The two benzene rings in each mol-ecule make dihedral angles of 7.6?(3) and 3.9?(3)°. Intra-molecular O-H?N and O-H?O hydrogen bonds are present in each mol-ecule. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains propagating in [010]. The are also a number of C-H?O and ?-? inter-actions present [centroid-centroid distances = 3.874?(4) and 3.904?(3)?Å], that result in the formation of a three-dimensional network.

| S-EPMC3275245 | 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