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

ABSTRACT: 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.

SUBMITTER: Caracelli I

PROVIDER: S-EPMC2979917 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description: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.

| S-EPMC3343957 | biostudies-literature

2-[(4-Methoxy-phen-yl)imino-meth-yl]-4-nitro-phenol.

Project description:The title Schiff base compound, C(14)H(12)N(2)O(4), is in an inter-mediate state between NH and OH tautomers. Apart from the intra-molecular O-H⋯N hydrogen bond, there are inter-molecular C-H⋯O hydrogen bonds, generating centrosymmetric R(2) (2)(18) and R(2) (2)(14) dimers.

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(E)-2-[(2-Ethyl-phen-yl)imino-meth-yl]-6-methoxy-phenol.

Project description:The mol-ecule of the title compound, C(16)H(17)NO(2), adopts the phenol-imine tautomeric form with a strong intra-molecular O-H?N hydrogen bond and an E conformation with respect to the azomethine C=N bond. The dihedral angle between the aromatic rings is 21.23?(9)°. The ethyl group is disordered over two orientations with occupancies of 0.598?(6) and 0.402?(6). In the crystal, the mol-ecules are linked into chains along the b axis by C-H?? inter-actions.

| S-EPMC2979675 | biostudies-literature

2-(1H-Benzotriazol-1-yl)-1-(3-methoxy-benzo-yl)ethyl isonicotinate.

Project description:In the title compound, C(22)H(18)N(4)O(4), mol-ecules are linked to each other by C-H?N and C-H?O inter-molecular hydrogen-bonding inter-actions. The crystal packing is further stabilized by C-H??, and ?-? inter-actions with a distance of 3.783?(3)?Å between the centroids of the benzene rings of the benzotriazole system.

| S-EPMC2968212 | 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

Ethyl 2-[3-(4-nitro-benzo-yl)thio-ureido]benzoate.

Project description:In the title compound, C(17)H(15)N(3)O(5)S, the nitro and thio-ureido groups are twisted by 7.2?(7) and 21.4?(2)°, respectively, from the nitro-benzene ring plane whereas the thio-ureido and the ethyl ester group make dihedral angles of 43.0?(1) and 18.0?(2)°, respectively, with the benzene rings to which they are attached. Intra-molecular N-H?O hydrogen-bonding inter-actions are observed. In the crystal, inter-molecular N-H?O hydrogen bonds connect the mol-ecules into chains running along the a axis.

| S-EPMC2984025 | biostudies-literature

{2-[2-(Ethyl-amino)ethyl-imino-meth-yl]-5-methoxy-phenolato}thio-cyanato-nickel(II).

Project description:In the title mononuclear nickel(II) complex, [Ni(C(12)H(17)N(2)O(2))(NCS)], the metal atom is four-coordinated in a tetra-hedrally distorted square-planar geometry by the phenolate O atom, the imine N atom and the amine N atom of the Schiff base ligand and by the N atom of a thio-cyanate ligand. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers through inter-molecular N-H⋯O hydrogen bonds. These dimers are further connected by inter-molecular C-H⋯S hydrogen bonds, forming chains running parallel to [101].

| S-EPMC2979965 | biostudies-literature

Ethyl 2-(3-ethyl-sulfinyl-5-methyl-1-benzo-furan-2-yl)acetate.

Project description:The title compound, C(15)H(18)O(4)S, was prepared by the oxidation of ethyl 2-(3-ethyl-sulfanyl-5-methyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. The crystal structure is stabilized by aromatic π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.655 (3) Å] and by three inter-molecular C-H⋯O non-classical hydrogen bonds.

| S-EPMC2968996 | biostudies-literature

(Z)-Ethyl 2-hydroxy-imino-2-(4-nitro-benz-yl)ethanoate.

Project description:The title mol-ecule, C(11)H(10)N(2)O(6), has a Z conformation about the C=N bond of the oxime unit. There are significant twists from planarity throughout the mol-ecule, the most significant being between the hydroxy-imino and ester groups which are effectively orthogonal with an N-C-C-O(carbon-yl) torsion angle of 91.4?(2)°. The crystal packing features oxime-benzoyl O-H?O contacts that lead to chains along [010] and C-H?O interactions also occur.

| S-EPMC2980268 | biostudies-literature

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