Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Phenyl-acetic acid-3-{(E)-2-[(E)-pyridin-3-yl-methyl-idene]hydrazin-1-ylidenemeth-yl}pyridine (2/1).

ABSTRACT: The asymmetric unit of the title 1:2 adduct, C(12)H(10)N(4)·2C(8)H(8)O(2), comprises a single mol-ecule of 2-phenyl-acetic acid and half a mol-ecule of 3-pyridine-aldazine; the latter is completed by crystallographic inversion symmetry. In the crystal, mol-ecules are connected into a three-component aggregate via O-H?N hydrogen bonds. As the carboxyl group lies above the plane through the benzene ring to which it is attached [C-C-C-C = 62.24?(17)°] and the 4-pyridine-aldazine mol-ecule is almost planar (r.m.s. deviation of the 16 non-H atoms = 0.027?Å), the overall shape of the aggregate is that of a flattened extended chair. Layers of these aggregates are connected by C-H?O and C-H?? inter-actions and stack parallel to (220).

SUBMITTER: Arman HD

PROVIDER: S-EPMC2983166 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Phenyl-acetic acid-3-{(E)-2-[(E)-pyridin-3-yl-methyl-idene]hydrazin-1-ylidenemeth-yl}pyridine (2/1).

Arman Hadi D HD Kaulgud Trupta T Tiekink Edward R T ER

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

The asymmetric unit of the title 1:2 adduct, C(12)H(10)N(4)·2C(8)H(8)O(2), comprises a single mol-ecule of 2-phenyl-acetic acid and half a mol-ecule of 3-pyridine-aldazine; the latter is completed by crystallographic inversion symmetry. In the crystal, mol-ecules are connected into a three-component aggregate via O-H⋯N hydrogen bonds. As the carboxyl group lies above the plane through the benzene ring to which it is attached [C-C-C-C = 62.24 (17)°] and the 4-pyridine-aldazine mol-ecule is almost ...[more]

PMID: 21587652

Similar Datasets

Benzoic acid-4-{(1E)-[(E)-2-(pyridin-4-yl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (2/1).

Project description:In the title co-crystal, C(12)H(10)N(4)·2C(7)H(6)O(2), the complete 4-pyridine-aldazine mol-ecule is generated by a crystallographic centre of inversion. In the crystal, mol-ecules are connected into a three component aggregate via O-H?N hydrogen bonds. As both the benzoic acid [O-C-C-C torsion angle = 174.8?(2)°] and 4-pyridine-aldazine (r.m.s. deviation of the 16 non-H atoms = 0.041?Å) mol-ecules are almost planar, the resulting three-component aggregate is essentially planar. The crystal packing comprises layers of the three-component aggregates of alternating orientation stacked along the b axis; the connections between the mol-ecules are of the types C-H?? and ?-? [pyridine-benzene centroid-centroid distance = 3.787?(4)?Å].

| S-EPMC3009056 | biostudies-literature

2-(4-Chloro-phen-yl)acetic acid-2-{(E)-[(E)-2-(2-pyridyl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (1/1).

Project description:In the crystal of the title 1:1 adduct, C(8)H(7)ClO(2)·C(12)H(10)N(4), the components are linked by an O-H⋯N hydrogen bond between the carb-oxy-lic acid and one of the pyridine N atoms. In the acid, the carb-oxy-lic acid group is approximately normal to [dihedral angle = 72.9 (2)°] but twisted with respect to the plane through the benzene ring [C-C-C-O torsion angle = 25.4 (5)°]. The base is roughly planar [dihedral angle between rings = 12.66 (15)°; r.m.s. deviation of the 16 non-H atoms = 0.107 Å] and the conformations about both imine bonds are E. The dimeric aggregates are linked into a supra-molecular layer in the ab plane by C-H⋯O inter-actions.

| S-EPMC3008031 | biostudies-literature

(Z)-2-[2-(4-Methyl-benzyl-idene)hydrazin-yl]pyridine.

Project description:Mol-ecules of the title compound, C(13)H(13)N(3), are essentially planar (r.m.s. deviation for all non-H atoms = 0.054?Å). The dihedral angle between the two aromatic rings is 6.33?(5)°. In the crystal, pairs of centrosymmetrically related mol-ecules are linked through N-H?N hydrogen bonds, forming N-H?N dimers with graph-set motif R(2) (2)(8).

| S-EPMC3050141 | biostudies-literature

Bis{(Z)-[(E)-2-(pyridin-2-yl-methyl-idene)hydrazin-1-yl-idene][(pyridin-2-yl)methyl-sulfan-yl]methane-thiol-ato}nickel(II).

Project description:The title compound, [Ni(C13H11N4S2)2], was obtained by the reaction of S-2-picolyldi-thio-carbazate and pyridine-2-carbaldehyde with nickel(II) acetate. The Ni(II) atom is located on a twofold rotation axis and is bonded to four N atoms at distances of 2.037 (8) and 2.109 (9) Å, and to two S atoms at a distance of 2.406 (3) Å, leading to a distorted octa-hedral coordination. The angle between the mean planes of the coordinating moieties of the two symmetry-related tridentate ligands is 83.3 (2)°. In the crystal, complex mol-ecules are linked by weak C-H⋯S hydrogen bonds, π-π inter-actions between the pyridine rings [centroid-centroid distance = 3.775 (9) Å] and C-H⋯π inter-actions. The hydrogen-bonding inter-actions lead to the formation of layers parallel to (010); π-π inter-actions link these layers into a three-dimensional network.

| S-EPMC3684885 | biostudies-literature

Benzoic acid-2-{(E)-[(E)-2-(2-pyridyl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (2/1).

Project description:The asymmetric unit of the title cocrystal, C(12)H(10)N(4)·2C(7)H(6)O(2), comprises a single mol-ecule of benzoic acid and one half-mol-ecule of 2-pyridine-aldazine situated about a centre of inversion. The carboxyl group is coplanar with the benzene ring to which it is connected [O-C-C-C = -172.47?(12)°] and similarly, the 2-pyridine-aldazine mol-ecule is planar (r.m.s. deviation of the 16 non-H atoms = 0.017?Å). In the crystal, mol-ecules are connected into a non-planar three-mol-ecule aggregate [dihedral angle between the benzene and pyridyl ring connected by the hydrogen bond = 61.30?(7)°] with a twisted Z-shape. Layers of 2-pyridine-aldazine mol-ecules in the ab plane are sandwiched by benzoic acid mol-ecules being connected by O-H?N and C-H?O inter-actions, the latter involving the carbonyl O atom so that each benzoic acid mol-ecule links three different 2-pyridine-aldazine mol-ecules. Inter-digitated layers stack along the c axis.

| S-EPMC3009141 | biostudies-literature

(E)-1-Phenyl-2-({5-[(1E)-(2-phenyl-hydrazin-1-yl-idene)meth-yl]-2-thien-yl}methyl-idene)hydrazine.

Project description:The title mol-ecule, C(18)H(16)N(4)S, adopts a U-shape with the aromatic groups lying syn and orientated in the same direction as the thio-phene S atom. The conformation about each of the C=N bonds is E. Overall, the mol-ecule is curved as seen in the dihedral angle of 30.26 (19)° formed between the terminal benzene rings. In the crystal, supra-molecular chains along the c axis are formed by a combination of N-H⋯N hydrogen bonds and N-H⋯π inter-actions.

| S-EPMC2983505 | biostudies-literature

(2E)-2-(2-Phenyl-hydrazin-1-yl-idene)propanoic acid.

Project description:The 13 non-H atoms comprising the title compound, C(9)H(10)N(2)O(2), are close to planar (r.m.s. deviation = 0.140?Å), with maximum deviations of 0.292?(1) and 0.210?(1)?Å to either side of the least-squares plane exhibited by the hy-droxy and carbonyl O atoms, respectively. The observed conformation is stabilized by an intra-molecular O-H?N hydrogen bond. The conformation about the N=C double bond [1.2909?(16)?Å] is E. The hy-droxy OH group also forms an inter-molecular hydrogen bond to a carbonyl O atom, and the amine H atom similarly forms an N-H?O hydrogen bond to a second carbonyl O atom. The result is the formation of a double layer with a flat topology. Layers stack along the a-axis direction connected by C-H?? inter-actions.

| S-EPMC3089133 | biostudies-literature

(E)-2-{4-[(Pyridin-2-yl)methyl-idene-amino]-phen-yl}acetic acid.

Project description:The title mol-ecule, C(14)H(12)N(2)O(2), forms a dimeric unit linked by a pair of symmetry-equivalent O-H?N hydrogen bonds. The aromatic rings are significantly twisted from each other with a dihedral angle of 44.04?(4)°.

| S-EPMC3297845 | biostudies-other

2-{2-[(E)-(2-Benzoyl-hydrazin-1-yl-idene)meth-yl]phen-oxy}acetic acid.

Project description:In the title compound, C(16)H(14)N(2)O(4), the dihedral angle between the aromatic rings is 12.45 (6)°. The central C(=O)-N-N=C bridge is roughly planar (r.m.s. deviation = 0.0346 Å) and makes dihedral angles of 13.01 (7) and 0.56 (7)° with the attached phenyl and benzene rings, respectively. The acetic acid unit (r.m.s. deviation = 0.0066 Å) is twisted from its attached benzene ring [dihedral angle = 19.48 (6)°]. In the crystal, mol-ecules are linked by O-H⋯(O,N), N-H⋯O and C-H⋯O hydrogen bonds into sheets lying parallel to the bc plane. A weak aromatic π-π stacking inter-action is also observed [centroid-centroid distance = 3.7330 (7) Å].

| S-EPMC3394044 | biostudies-literature

(Pyridin-4-yl)methyl N'-(3-phenyl-allyl-idene)hydrazinecarbodithio-ate.

Project description:In the title compound, C(16)H(15)N(3)S(2), the central C(2)N(2)S(2) residue is planar (r.m.s. deviation = 0.045 Å) and the pyridyl and benzene rings are inclined and approximately coplanar to this plane, respectively [dihedral angles = 72.85 (9) and 10.73 (9)°], so that, overall, the mol-ecule adopts an L-shape. The conformation about each of the N=C [1.290 (3) Å] and C=C [1.340 (3) Å] bonds is E. Supra-molecular chains along [1-10] are stabilized by N-H⋯N(pyridine) hydrogen bonding and these are connected into a double layer that stacks along the c-axis direction by C-H⋯π(pyridine) inter-actions.

| S-EPMC3569232 | 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