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Ethyl 2-{3-[(6-chloro-pyridin-3-yl)meth-yl]-2-(nitro-imino)-imidazolidin-1-yl}acetate.

ABSTRACT: In the title compound, C(13)H(16)ClN(5)O(4), the imidazole ring is in a slight envelope conformation. The dihedral angle between the pyridine ring and the four essentially planar atoms [maximum deviation 0.015 (2) Å] of the imidazole ring is 80.8 (1)°. In, the crystal, weak C-H⋯O and C-H⋯N hydrogen bonds are present. In addition, there are weak π-π stacking inter-actions between symmetry-related pyridine rings with a centroid-centroid distance of 3.807 (1) Å.

SUBMITTER: Kapoor K

PROVIDER: S-EPMC3343957 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-[(6-Chloro-pyridin-3-yl)meth-yl]imidazolidin-2-iminium chloride.

Project description:The title compound, C(9)H(12)ClN(4) (+)·Cl(-), is a natural metabolic product of imidacloprid [systematic name: (E)-1-(6-chloro-3-pyridyl-meth-yl)-N-nitro-imidazolidin-2-yl-idene-amine] and was obtained by the reduction of the latter using Fe in HCl. The dihedral angle between the pyridine and imidazole rings is 62.09?(12)°. The crystal structure is stabilized by N-H?Cl and C-H?Cl inter-actions involving the chloride anion. The pyridine N and the chloride atoms are not involved in inter-molecular inter-actions.

| S-EPMC3254490 | biostudies-literature

2-[(5-Chloro-pyridin-2-yl-imino)-meth-yl]phenol.

Project description:In the title compound, C12H9ClN2O, the dihedral angle between the aromatic rings is 1.78 (4)° and an intra-molecular O-H⋯N hydrogen bond closes an S(6) ring. In the crystal, C-H⋯O and C-H⋯N hydrogen bonds connect the mol-ecules into [001] chains.

| S-EPMC9462149 | biostudies-literature

4-[(E)-(3-Chloro-4-methyl-phen-yl)imino-meth-yl]-2-methoxy-3-nitro-phenyl acetate.

Project description:The title compound, C(17)H(15)ClN(2)O(5), displays a trans-configuration with respect to the C=N double bond. The mol-ecule is twisted, the dihedral angle between the mean planes of the two benzene rings being 18.70 (12)°. The nitro, meth-oxy and acetyl groups are oriented at 80.70 (11), 35.2 (2) and 72.35 (10)°, respectively, to the benzene ring to which they are bonded. The crystal structure is stabilized by weak C-H⋯O hydrogen-bonding contacts.

| S-EPMC3274996 | biostudies-literature

Ethyl 2-{3-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]-4-nitro-imino-1,3,5-triazinan-1-yl}acetate.

Project description:In the title compound, C(11)H(15)ClN(6)O(4)S, which belongs to the neonicotinoid class of insecticidally active heterocyclic compounds, the six-membered triazine ring adopts an opened envolope conformation. The planar nitro imine group [dihedral angle between nitro and imine groups = 1.07?(7)°] and the thia-zole ring are oriented at a dihedral angle of 69.62?(8)°. A classical intra-molecular N-H?O hydrogen bond is found in the mol-ecular structure. Moreover, one classical inter-molecular N-H?N and four non-classical C-H?O and C-H?N hydrogen bonds are also present in the crystal structure. Besides inter-molecular hydrogen bonds, the Cl atom forms an inter-molecular short contact [3.020?(2)?Å] with one of the nitro O atoms.

| S-EPMC2979404 | biostudies-other

Ethyl (E)-2-methoxy-imino-2-(4-nitro-benzo-yl)acetate.

Project description:The title mol-ecule, C(12)H(12)N(2)O(6), features an E conformation about the oxime group. The methoxy-imino and ester residues are effectively coplanar with each other (r.m.s. deviation for the nine non-H atoms = 0.127 Å) and almost orthogonal [with dihedral angles of 99.44 (13) and -77.85 (13)°, respectively] to the carbonyl and nitro-phenyl groups which lie to either side of this central plane. The crystal structure is consolidated by C-H⋯O contacts.

| S-EPMC2979917 | biostudies-literature

1-[(6-Chloro-pyridin-3-yl)meth-yl]-imidazolidin-2-one.

Project description:In the title mol-ecule, C(9)H(10)ClN(3)O, the dihedral angle between the pyridine ring and imidazoline ring mean plane [maximum deviation = 0.031-(3)?Å] is 76.2?(1)°. In the crystal, N-H?O hydrogen bonds link pairs of mol-ecules to form inversion dimers. In addition, weak C-H?N hydrogen bonds and ?-? stacking inter-actions between pyridine rings [centroid-centroid distance = 3.977?(2)?Å] are observed.

| S-EPMC3379492 | biostudies-other

2-{[3-Chloro-4-(4-chloro-phen-oxy)phen-yl]imino-meth-yl}-4-nitro-phenol.

Project description:In the title compound, C19H12Cl2N2O4, the imine bond length of 1.257?(6)?Å is typical of a double bond. The dihedral angle between the para-nitro benzene ring and the central benzene ring is 12.06?(3)° and that between the central benzene and the para-chloro benzene ring is 73.81?(2)°. An intra-molecular O-H?N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked together by two pairs of C-H?O interactions (to the same O atom acceptor), forming inversion dimers. A short Cl?Cl contact [3.232?(4)?Å] is observed.

| S-EPMC3685046 | biostudies-literature

(4-Chloro-2-{[(pyridin-2-ylmeth-yl)imino]-meth-yl}phenolato)iodido(methanol)zinc(II).

Project description:The title Schiff base zinc(II) complex, [Zn(C(13)H(10)ClN(2)O)I(CH(3)OH)], was synthesized by the reaction of 5-chloro-salicyl-aldehyde, 2-amino-methyl-pyridine and zinc iodide in methanol. The Zn(II) atom is five-coordinated by one phenolate O atom, one imine and one pyridine N atom of the Schiff base ligand, one methanol O atom and one I atom, forming a distorted square-pyramidal geometry, with the I atom at the apical site. The dihedral angle between the benzene and pyridine rings is 22.9 (2)°. In the crystal, centrosymmetrically related mol-ecules are linked through inter-molecular O-H⋯O hydrogen bonds, forming dimers.

| S-EPMC3052144 | biostudies-literature

2-Bromo-4-chloro-6-[(1-phenyl-ethyl)-imino-meth-yl]phenol.

Project description:The title compound, C(15)H(13)BrClNO, is a Schiff base derived from the condensation of equimolar quanti-ties of 3-bromo-5-chloro-salicylaldehyde and 1-phenyl-ethanamine. The structure displays a trans configuration with respect to the imine C=N double bond. The N atom is also involved in an intra-molecular O-H-N hydrogen bond, which stabilizes the configuration of the compound.

| S-EPMC2959591 | biostudies-literature

4-Chloro-2-[(E)-2-(4-methoxy-phen-yl)ethyl-imino-meth-yl]phenol.

Project description:In the title Schiff base, C(16)H(16)ClNO(2), the 2-(4-methoxy-phen-yl)ethyl (CH(3)OC(6)H(4)CH(2)CH(2)-; r.m.s. deviation = 0.10 Å) and 4-chloro-2-(imino-meth-yl)phenol (N=CHC(6)H(3)ClOH; r.m.s. deviation = 0.01 Å) portions are both essentially planar, the two parts being inclined at an angle of 61.8 (1)°. The hydroxy group forms a hydrogen bond to the imino N atom.

| S-EPMC2977750 | biostudies-literature

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