Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis[4-hy-droxy-3,5-dimeth-oxy-benzalde-hyde (2,4-dinitro-phen-yl)hydrazone] N,N-dimethyl-formamide disolvate monohydrate.

ABSTRACT: In the title compound, 2C(15)H(14)N(4)O(7)·2C(3)H(7)NO·H(2)O, the hydrazone mol-ecules are roughly planar, with the two benzene rings twisted slightly relative to each other by dihedral angle of 6.04?(11) and 7.75?(11)° in the two mol-ecules. The water mol-ecule is linked to the Schiff base mol-ecule by an O-H?O hydrogen bond. Intra-molecular N-H?O hydrogen bonds occur. In the crystal, mol-ecules are linked by inter-molecular N-H?O and O-H?O hydrogen bonds.

SUBMITTER: Zhao LX

PROVIDER: S-EPMC2983379 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis[4-hy-droxy-3,5-dimeth-oxy-benzalde-hyde (2,4-dinitro-phen-yl)hydrazone] N,N-dimethyl-formamide disolvate monohydrate.

Zhao Lin-Xiu LX Li Gang-Shen GS

Acta crystallographica. Section E, Structure reports online 20100930 Pt 10

In the title compound, 2C(15)H(14)N(4)O(7)·2C(3)H(7)NO·H(2)O, the hydrazone mol-ecules are roughly planar, with the two benzene rings twisted slightly relative to each other by dihedral angle of 6.04 (11) and 7.75 (11)° in the two mol-ecules. The water mol-ecule is linked to the Schiff base mol-ecule by an O-H⋯O hydrogen bond. Intra-molecular N-H⋯O hydrogen bonds occur. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds. ...[more]

PMID: 21587615

Similar Datasets

4-Diethyl-amino-3,5-diisopropyl-benzalde-hyde.

Project description:The title benzaldehyde, C(17)H(27)NO, was prepared via lithia-tion of bromoaniline and reaction with DMF. In the crystal, the molecule adopts a C2-symmetrical conformation; nevertheless, two modes of disorder are present: the orientation of the aldehyde group (occupancy ratio 0.5:0.5) and of symmetry-equivalent ethyl groups [occupancy ratio 0.595 (7):0.405 (7)]. The phenyl-ene ring and the carbonyl group are essentially coplanar [C-C-C-O torsion angle = -179.0 (4)°] but the dihedral angle between the mean planes of the phenyl-ene ring and the amino group = 67.5 (2)°. This and the long [1.414 (3) Å] aniline C-N bond indicate electronic decoupling between the carbonyl and amino groups. The angle sum of 359.9 (2)° around the N atom results from steric compression-induced rehybridization.

| S-EPMC3238983 | biostudies-literature

2,4-Dinitro-benzaldehyde hydrazone.

Project description:The title compound, C(7)H(6)N(4)O(4), plays an important role in the synthesis of biologically active compounds. The planar hydrazone group is oriented at a dihedral angle of 8.27 (3)° with respect to the benzene ring. In the crystal structure, inter-molecular N-H⋯O and N-H⋯N hydrogen bonds link the mol-ecules.

| S-EPMC2960920 | biostudies-literature

2,4-Dichloro-benzaldehyde 2,4-dinitro-phenyl-hydrazone.

Project description:The asymmetric unit of the title compound, C(13)H(8)Cl(2)N(4)O(4), contains two independent but similar and almost planar mol-ecules. An intra-molecular N-H⋯O hydrogen bond is observed in each mol-ecule.

| S-EPMC2962065 | biostudies-literature

2-Methoxy-benzaldehyde 2,4-dinitro-phenyl-hydrazone.

Project description:In the title compound, C(14)H(12)N(4)O(5), an intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. The dihedral angle between the two benzene rings is 3.91?(3)°, which shows the mol-ecule is almost planar. The para-nitro group is twisted from the benzene ring to which it is attached, making a dihedral angle of 8.50?(9)°. In the crystal structure, mol-ecules are linked together by inter-molecular C-H?O and inter-molecular three-centred O?O [2.8646?(12)-2.9213?(11)?Å] and O?N [3.0518?(11)?Å] inter-actions. The crystal structure is further stabilized by inter-molecular ?-? inter-actions [centroid-to-centroid distances 3.5708?(6)-3.9728?(12)?Å].

| S-EPMC2968177 | biostudies-literature

But-2-enal 2,4-dinitro-phenyl-hydrazone.

Project description:In the title compound, C(10)H(10)N(4)O(4), the but-2-enal chain is almost planar, the largest deviation from the mean plane being 0.013 (1) Å, and this plane makes a dihedral angle of 9.95 (24)° with the benzene ring,. Of the two nitro groups, one is twisted with respect to the benzene ring, making a dihedral angle of 5.7 (1)°, whereas the other is nearly in the plane of the benzene ring, with a twist angle of only 0.7 (1)°. This difference is related to the occurence of an intra-molecular N-H⋯O hydrogen bond with the O atom of the less twisted nitro group. The NH group is also involved in a weak inter-action with the same O atom of a symmetry-related mol-ecule, thus forming a pseudo inversion dimer.

| S-EPMC2959657 | biostudies-literature

3-Penta-none 2,4-dinitro-phenyl-hydrazone.

Project description:Crystals of the title compound, C(11)H(14)N(4)O(4), were obtained from a condensation reaction of 2,4-dinitro-phenyl-hydrazine and 3-penta-none. In the crystal structure, the mol-ecule, except one methyl group, displays a nearly planar structure. The imino group links to the adjacent nitro group via intra-molecular hydrogen bonding. The partially overlapped arrangement and face-to-face separation of 3.410 (9) Å between parallel benzene rings indicate the existence of π-π stacking between adjacent mol-ecules. The crystal structure also contains weak inter-molecular C-H⋯O hydrogen bonding.

| S-EPMC2961742 | biostudies-literature

A monoclinic polymorph with Z = 4 of (E)-2,4-dihy-droxy-acetophenone 2,4-dinitro-phenyl-hydrazone N,N-dimethyl-formamide monosolvate.

Project description:The title compound, C(14)H(12)N(4)O(6)·C(3)H(7)NO, is a monoclinic polymorph of an already published structure [Baughman et al. (2004 ▶). Acta Cryst. C60, 103-106]. In the previously reported structure, the compound crystallized in the triclinic space group P[Formula: see text] (Z = 2), whereas the structure reported here is monoclinic (P2(1)/n, Z = 4). In both forms, two intra-molecular hydrogen bonds result in the formation of a fairly planar hydrazone skeleton (r.m.s. deviations for all non-H atoms = 0.127 Å for the monoclinic from and 0.131 Å for the triclinic form) and each mol-ecule is hydrogen bonded to one solvent mol-ecule. The principal difference between the two forms lies in the different orientation of the two mol-ecules. In the monoclinic form, the two mol-ecules are almost coplanar [dihedral angle = 3.27 (2)°], whereas in the triclinic form the two mol-ecules are almost mutulally perpendicular (dihedral angle = 85.3°).

| S-EPMC3239067 | biostudies-literature

Thio-phene-2-carbaldehyde 2,4-dinitro-phenyl-hydrazone.

Project description:In the approximately planar molecule of the title compound, C(11)H(8)N(4)O(4)S, the dihedral angle between the thio-phene and benzene rings is 5.73 (10)°. In the crystal structure, bifurcated inter/intra-molecular N-H⋯(O,O) hydrogen bonds are present. The intermolecular links lead to inversion dimers containing an R(2) (2)(12) graph-set motif.

| S-EPMC2959885 | biostudies-literature

(E)-2-Furyl methyl ketone 2,4-dinitro-phenyl-hydrazone.

Project description:Crystals of the title compound, C(12)H(10)N(4)O(5), were obtained from a condensation reaction of 2,4-dinitro-phenyl-hydrazine and 2-furyl methyl ketone. The mol-ecule displays a nearly planar structure, and the furan ring is slightly twisted by a dihedral angle of 12.62 (6)° with respect to the phenyl-hydrazone plane. The face-to-face separation of 3.287 (7) Å between parallel benzene rings of adjacent mol-ecules indicates the existence of π-π stacking between dinitro-phenyl rings in the crystal structure.

| S-EPMC2961490 | biostudies-literature

1,3-Diphenyl-propan-2-one (2,4-dinitro-phen-yl)hydrazone.

Project description:In the title compound, C(21)H(18)N(4)O(4), there is an intra-molecular N-H?O hydrogen bond between the amino H atom and an O atom of the 2-nitro group of the adjacent benzene ring. The central benzene ring forms dihedral angles of 79.98?(7) and 82.88?(7)° with the two phenyl rings. In the crystal structure, mol-ecules are linked into a three-dimensional network by weak C-H?N, C-H?O and C-H?? inter-actions.

| S-EPMC2983658 | 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