Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Nitro-N'-[(1E,2E)-3-phenyl-prop-2-en-1-yl-idene]benzohydrazide.

ABSTRACT: In the title mol-ecule, C(16)H(13)N(3)O(3), the benzene and phenyl rings are linked through a propenyl-idene hydrazide fragment, C-C(=O)-N(H)-N=C(H)-C(H)=C(H)-, which is fully extended with torsion angles in the range 175.4?(2)-179.9?(2)°. The dihedral angle between the the benzene and phenyl rings is 58.28?(7)°. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains along the b axis and additional stabilization is provided by weak inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Ahmad T

PROVIDER: S-EPMC2979035 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Nitro-N'-[(1E,2E)-3-phenyl-prop-2-en-1-yl-idene]benzohydrazide.

Ahmad Tanveer T Zia-Ur-Rehman Muhammad M Siddiqui Hamid Latif HL Mahmud Shahid S Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20100402 Pt 5

In the title mol-ecule, C(16)H(13)N(3)O(3), the benzene and phenyl rings are linked through a propenyl-idene hydrazide fragment, C-C(=O)-N(H)-N=C(H)-C(H)=C(H)-, which is fully extended with torsion angles in the range 175.4 (2)-179.9 (2)°. The dihedral angle between the the benzene and phenyl rings is 58.28 (7)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains along the b axis and additional stabilization is provided by weak inter-molecular C-H⋯O hy ...[more]

PMID: 21579086

Similar Datasets

2-Hydr-oxy-N'-[(1E,2E)-3-phenyl-prop-2-enyl-idene]benzohydrazide.

Project description:In mol-ecule of the title compound, C(16)H(14)N(2)O(2), the two aromatic rings form a dihedral angle of 6.93?(3)° and an intramolecular N-H?O hydrogen bond occurs. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into zigzag chains running in the [10] direction.

| S-EPMC2959358 | biostudies-literature

N'-[(1E,2E)-1-(2-Phenyl-hydrazin-1-yl-idene)-1-(phenyl-sulfon-yl)propan-2-yl-idene]benzohydrazide.

Project description:The configuration about each C=N bond in the title compound, C(22)H(20)N(4)O(3)S, is E. While to a first approximation the phenyl-hydrazin-1-yl-idene and benzohydrazide residues are coplanar, in part due to the presence of an intra-molecular N-H?N hydrogen bond, significant twists are evident in the orientations of the hydrazine [N-N-C-C torsion angle = -170.74?(11)°] and benzoyl benzene [N-C-C-C = -21.72?(18)°] rings. The sulfonyl benzene ring occupies a position almost normal to the rest of the mol-ecule [C-S-C-N = -92.28?(10)°]. Centrosymmetric aggregates mediated by pairs of hydrazide-sulfonyl N-H?O hydrogen bonds are the predominant packing motif in the crystal. These are connected into linear supra-molecular chains via C-H?O inter-actions which are, in turn, linked into layers in the ac plane via C-H?? inter-actions. Connections between layers along the b-axis direction are of the ?-? type and occur between centrosymmetrically related hydrazine-bound benzene rings [centroid-centroid separation = 3.7425?(9)?Å].

| S-EPMC3200681 | biostudies-literature

(2E)-N-Methyl-2-[(2E)-3-phenyl-prop-2-en-1-yl-idene]hydrazinecarbothio-amide.

Project description:The title compound, C(11)H(13)N(3)S, is close to being planar, with a dihedral angle of 9.64?(3)° between the benzene ring and the thio-semicarbazone mean plane, maintained by the presence of ?-conjugation in the chain linking the the two systems. In the crystal, N-H?S hydrogen bonds form centrosymmetric dimers through a cyclic association [graph-set R(2) (2)(8)].

| S-EPMC3470202 | biostudies-literature

2-(5-Meth-oxy-2-methyl-1H-indol-3-yl)-N'-[(1E,2E)-3-phenyl-prop-2-en-1-yl-idene]acetohydrazide.

Project description:The title compound, C21H21N3O2, adopts a J-shaped conformation which appears to be at least partially directed by a weak intra-molecular C-H⋯N hydrogen bond. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into R 2 (2)(8) and R 2 (2)(14) cyclic dimers, which form a chain running parallel to the b axis.

| S-EPMC3884474 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(16)H(14)N(4)O(4), contains one half-mol-ecule of (nitro-phen-yl)ethanimine and the complete mol-ecule is generated by a crystallographic inversion centre. The mol-ecule has an E conformation with respect to each C=N double bond. The central C=N-N=C plane is twisted from the benzene rings with a dihedral angle of 24.76?(11)°. In the crystal, C-H?O inter-actions link the molecules to form sheets that lie parallel to (10-4).

| S-EPMC3295435 | biostudies-literature

1-Methyl-4-[(1E)-2-nitro-prop-1-en-1-yl]benzene.

Project description:The title compound, C(10)H(11)NO(2), adopts an E conformation about the C=C bond. The C=C-C=C torsion angle is 32.5?(3)°. The crystal structure features weak inter-molecular C-H?O inter-actions.

| S-EPMC3393329 | biostudies-literature

(2E)-1-Phenyl-2-[1-(2-phenyl-prop-2-en-1-yl)pyrrolidin-2-yl-idene]ethanone.

Project description:The title compound, C21H21NO, is a vinyl-ogous amide (enaminone) produced by reaction of 1-(2-phenyl-prop-2-en-1-yl)pyrrolidine-2-thione with phenacyl bromide. In the mol-ecule, the phenyl rings are twisted from the mean plane of the pyrrolidine ring by 11.2?(1) and 67.3?(1)°. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules related by translation along the b axis into chains.

| S-EPMC3588828 | biostudies-other

(2E)-1-(2,4-Dichloro-phen-yl)-3-[3-(4-nitro-phen-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one.

Project description:In the title compound, C(24)H(15)Cl(2)N(3)O(3), the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780?Å), but the mean planes of the two components are inclined at an angle of 9.95?(7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95?(7), 24.54?(6) and 43.02?(6)° with the mean planes of the different benzene rings. In the crystal, C-H?O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter-centroid distance between two aromatic systems is 3.5455?(7)?Å and is apparent between two pyrazole systems. Further ?-? inter-actions are manifest between a pair of 4-nitro-phenyl rings [centroid-to-centroid distance = 3.6443?(7)?Å] and a pair of 2,4-dichloro-phenyl rings [centroid-to-centroid distance = 3.7797?(7)?Å].

| S-EPMC3295416 | biostudies-literature

(2E)-2-[(2E)-3-Phenyl-prop-2-en-1-yl-idene]-2,3-dihydro-1H-inden-1-one.

Project description:The title indan-1-one derivative, C(18)H(14)O, is planar with an r.m.s. deviation for all 19 non-H atoms of 0.098?Å. The conformation about each of the C=C bonds [1.343?(3) and 1.349?(3)?Å] is E. Supra-molecular layers in the bc plane, mediated by C-H?O and ?-? [ring centroid-centroid distance = 3.5282?(15)?Å] inter-actions, feature in the crystal packing.

| S-EPMC3297876 | biostudies-other

(2E)-2-[(3E)-4-Phenyl-but-3-en-2-yl-idene]hydrazinecarboxamide.

Project description:In the title compound, C(11)H(13)N(3)O, the phenyl ring is disordered over two sites, with occupancy factors in a 0.520?(17):0.480?(17) ratio. The dihedral angle between the ring planes of the major and minor components of the disordered ring is 12.9?(2)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming R(2) (2)(8) ring motifs. C-H?O, C-H?N and C-H?? inter-actions also occur.

| S-EPMC3254430 | 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