Browse
Submit Data
Databases
API
Help

Dataset Information

32 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(3-meth-oxy-phen-yl)ethyl-idene]hydrazine.

ABSTRACT: There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(15)H(14)N(4)O(5), with different conformations for the meth-oxy groups. The mol-ecules are both slightly twisted, the dihedral angles between two benzene rings being 8.37 (18)° in one and 7.31 (18)° in the other. In both mol-ecules, the two nitro groups are essentially coplanar with their bound benzene ring, with the r.m.s. deviation of the dinitro-benzene plane being 0.0310 (3) Å in one mol-ecule and 0.0650 (3) Å in the other. In each mol-ecule, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions and stacked along the a axis through π-π inter-actions, with centroid-centroid distances of 3.651 (2) and 3.721 (2) Å. The crystal studied was a non-merohedral twin with a refined minor component of 20.1 (3)%.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3393954 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(2-meth-oxy-phen-yl)ethyl-idene]hydrazine.

Project description:The mol-ecule of the title compound, C(15)H(14)N(4)O(5), is in an E conformation with respect to the C=N double bond and the dihedral angle between the two benzene rings is 37.83?(7)°. The ethyl-idenehydrazine plane makes dihedral angles of 4.93?(9) and 42.38?(9)° with the two benzene rings. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H?O inter-actions into chains along the c axis which are stacked along the b axis by aromatic ?-? inter-actions with a centroid-centroid distance of 3.5927?(10)?Å.

| S-EPMC3238869 | biostudies-other

N-[1-(Biphenyl-4-yl)ethyl-idene]-N'-(2,4-dinitro-phen-yl)hydrazine.

Project description:The title compound, C(20)H(16)N(4)O(4), contains two crystallographically independent mol-ecules (A and B) in the asymmetric unit. Intra-molecular N-H?O hydrogen bonds generate S(6) ring motifs in both molecules. The dihedral angles between the nitro-substituted benzene rings and the two benzene rings in mol-ecules A and B are 14.32?(9), 17.89?(9)° and 13.04?(9) and 25.71?(9)°. The ortho and para nitro groups form dihedral angles of 6.2?(2) and 8.5?(2)° in mol-ecule A, and 5.3?(3) and 13.8?(2)° in mol-ecule B, with the benzene rings to which they are attached. The crystal structure is stabilized by inter-molecular C-H?O inter-actions.

| S-EPMC2977666 | biostudies-literature

N-(2,4-Dinitro-phen-yl)-N'-(1-p-tolyl-ethyl-idene)hydrazine.

Project description:In the title mol-ecule, C(15)H(14)N(4)O(4), the dihedral angle between the two benzene rings is 2.21 (7)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. The mean planes of the ortho- and para-nitro groups make dihedral angles of 2.17 (17) and 2.05 (16)°, respectively, with the benzene ring to which they are attached. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds generate R(2) (2)(7), R(2) (2)(13) and R(2) (1)(10) ring motifs, linking symmetry-related mol-ecules into extended chains along the b axis. In addition, there are inter-molecular C⋯C [3.332 (2)-3.343 (2) Å] contacts which are shorter than the sum of the van der Waals radii. The crystal structure is further stabilized by inter-molecular C-H⋯π and π-π stacking inter-actions [centroid-centroid distance = 3.8090 (9) Å].

| S-EPMC2969085 | biostudies-literature

(E)-1-[1-(2-Chloro-phen-yl)ethyl-idene]-2-(2,4-dinitro-phen-yl)hydrazine.

Project description:The title mol-ecule, C(14)H(11)ClN(4)O(4), is in an E configuration and is twisted with the dihedral angle between the two benzene rings being 38.48?(8)°. The ethyl-idenehydrazine plane makes dihedral angles of 6.03?(10) and 44.04?(11)°, respectively, with the dinitro- and chloro-substituted benzene rings. The two nitro groups are essentially coplanar with the bound benzene ring, making dihedral angles of 0.9?(2) and 1.65?(18)°. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by a weak C-H?O inter-action into a chain along the c axis. The chains are further stacked along the b axis by a ?-? inter-action with a centroid-centroid distance of 3.6088?(10)?Å.

| S-EPMC3239123 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(thio-phen-2-yl)ethyl-idene]hydrazine.

Project description:The mol-ecule of the title compound, C(12)H(10)N(4)O(4)S, is slightly twisted, with a dihedral angle of 8.23?(9)° between the benzene and thio-phene rings. One nitro group is co-planar [O-N-C-C torsion angles = -0.5?(3) and -1.9?(3)°] whereas the other is slightly twisted with respect to the benzene ring [O-N-C-C torsion angles = -5.1?(3) and -5.7?(3)°]. In the crystal, the mol-ecules are linked by weak C-H?O inter-actions into screw chains along the b axis. The mol-ecular conformation is consolidated by an intra-molecular N-H?O hydrogen bond.

| S-EPMC3089201 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(2-nitro-phen-yl)ethyl-idene]hydrazine.

Project description:The title compound, C(14)H(11)N(5)O(6), was obtained from the condensation reaction of 2,4-dinitro-phenyl-hydrazine and 2-nitro-acetophenone. The mol-ecule displays an E conformation about the C=N double bond and an intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. The dihedral angle between the benzene rings is 7.84?(6)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.6447?(8)?Å] into a three-dimensional network.

| S-EPMC3247472 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(3-nitro-phen-yl)ethyl-idene]hydrazine.

Project description:In the asymmetric unit of the title compound, C(14)H(11)N(5)O(6), there are three crystallographically independent mol-ecules with similar conformations but some differences in bond angles. The mol-ecules are slightly twisted with the dihedral angles between the benzene rings being 10.02?(14), 8.41?(15) and 1.40?(14)°. In each mol-ecule, an intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H?O inter-actions into a three-dimensional network. ?-? inter-actions with centroid-centroid distances of 3.5635?(17)-3.8273?(18)?Å are observed.

| S-EPMC3435706 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(4-fluoro-phen-yl)ethyl-idene]hydrazine.

Project description:The title compound, C(14)H(11)FN(4)O(4), crystallizes with two essentially planar mol-ecules in the asymmetric unit; the dihedral angles between the benzene rings are 1.57?(15) and 6.17?(15)°. In each mol-ecule, an intra-molecular N-H?O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by weak C-H?O and C-H?F inter-actions into sheets lying parallel to (120). O?C [2.980?(4)?Å] and O?N [2.892?(3)?Å] short contacts also occur.

| S-EPMC3275075 | biostudies-literature

1-(2,3-Dimeth-oxy-benzyl-idene)-2-(2,4-dinitro-phen-yl)hydrazine.

Project description:In the title compound, C(15)H(14)N(4)O(6), the dihedral angle between the aromatic rings is 3.7?(4)°. The nitro groups make dihedral angles of 6.0?(4) and 5.2?(4)° with the parent ring and are oriented at 6.0?(6)° with respect to each other. The meth-oxy groups are inclined at 54.0?(2) and 2.5?(3)° with respect to the benzene ring to which they are attached. In the crystal, mol-ecules are linked by weak C-H?O inter-actions. The mol-ecular conformation is consolidated by an intra-molecular N-H?O hydrogen bond.

| S-EPMC3089222 | biostudies-literature

1-[(Bromo-meth-yl)(phen-yl)meth-ylene]-2-(2,4-dinitro-phen-yl)hydrazine.

Project description:The title compound, C(14)H(11)BrN(4)O(4), comprises two crystallographically independent mol-ecules (A and B) in the asymmetric unit. In mol-ecule B, intra-molecular bifurcated N-H?O and N-H?Br hydrogen bonds and in mol-ecule A, an intra-molecular N-H?O hydrogen bond generate S(6) ring motifs. The dihedral angle between the phenyl and benzene rings is 5.44?(6) in mol-ecule A and 7.63?(6)° in mol-ecule B. The ortho- and meta-nitro substituents make dihedral angles of 6.67?(15) and 2.26?(15)° to the attached benzene ring in mol-ecule A and 6.37?(17) and 5.81?(16)° in mol-ecule B. The Br atom in mol-ecule B is disordered over two positions with a refined site-occupancy ratio of 0.61?(3):0.39?(3). Inter-esting features of the crystal structure are the short Br?N [3.257?(3)-3.294?(4)?Å], Br?O [3.279?(3)-3.307?(4)?Å] and O?O [2.9319?(16)-2.9995?(16)?Å] contacts, which are shorter than the sum of the van der Waals radii of these atoms. The crystal structure is further stabilized by inter-molecular C-H?O and ?-? inter-actions [centroid-centroid distances = 3.6643?(8)-3.8514?(8)?Å].

| S-EPMC2969738 | 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