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Ethyl 2-[2-(3-meth-oxy-phen-yl)hydrazinyl-idene]-3-oxobutano-ate.

ABSTRACT: The title compound, C(13)H(16)N(2)O(4), is approximately planar (r.m.s. deviation = 0.065?Å for the 19 non-H atoms). An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif and the mol-ecule adopts an E conformation with respect to the central C=N double bond. In the crystal, pairs of inter-molecular C-H?O hydrogen bonds link adjacent mol-ecules into inversion dimers. The crystal structure also features weak C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3201266 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

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Ethyl 2-[2-(3-meth-oxy-phen-yl)hydrazinyl-idene]-3-oxobutano-ate.

Fun Hoong-Kun HK Asik Safra Izuani Jama SI Razak Ibrahim Abdul IA Shetty Shobhitha S Kalluraya Balakrishna B

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

The title compound, C(13)H(16)N(2)O(4), is approximately planar (r.m.s. deviation = 0.065 Å for the 19 non-H atoms). An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif and the mol-ecule adopts an E conformation with respect to the central C=N double bond. In the crystal, pairs of inter-molecular C-H⋯O hydrogen bonds link adjacent mol-ecules into inversion dimers. The crystal structure also features weak C-H⋯π inter-actions. ...[more]

PMID: 22065239

Similar Datasets

Ethyl 2-[2-(2-meth-oxy-phen-yl)hydrazinyl-idene]-3-oxobutano-ate.

Project description:In the title compound, C(13)H(16)N(2)O(4), an intra-molecular N-H?O hydrogen bond generates an S(6) ring. The mol-ecule adopts an E configuration with respect to the central C=N double bond. In the crystal, symmetry-related mol-ecules are connected into chains along [010] via weak C-H?N hydrogen bonds. The crystal structure is further stabilized by weak C-H?? inter-actions.

| S-EPMC3201242 | biostudies-literature

1-(2-Meth-oxy-phen-yl)-2-{[2-(2-meth-oxy-phen-yl)hydrazinyl-idene](nitro)-meth-yl}diazene.

Project description:In the title compound, C(15)H(15)N(5)O(4), a nitro-formazan derivative, the formazan unit is essentially planar with an r.m.s. deviation of 0.0204?(6)?Å and adopts a closed syn,s-cis configuration with an intra-molecular N-H?N hydrogen bond. The formazan plane makes dihedral angles of 4.32?(5) and 24.35?(5)° with the benzene rings. The dihedral angle between the formazan plane and the nitro group is 12.58?(8)°. In the crystal, C-H?O inter-actions connect the mol-ecules into an inversion dimer.

| S-EPMC3295411 | biostudies-literature

Ethyl 2-[(2,4-difluoro-phen-yl)hydrazinyl-idene]-3-oxobutano-ate.

Project description:The asymmetric unit of the title compound, C(12)H(12)F(2)N(2)O(3), contains two mol-ecules, both of which exist in an E conformation with respect to their C=N bonds [1.321?(6) and 1.310?(6)?Å]. The mol-ecular conformations are supported by intra-molecular N-H?O hydrogen bonds, which generate S(6) rings. In the crystal, mol-ecules are linked by C-H?O and C-H?F hydrogen bonds into layers lying parallel to (001). The crystal studied was an inversion twin with a 0.58?(1):0.42?(1) domain ratio.

| S-EPMC3275180 | biostudies-literature

Methyl 2-meth-oxy-4-{[2-(4-nitro-phen-yl)hydrazinyl-idene]meth-yl}benzoate.

Project description:The mol-ecule of the title Schiff base compound, C(16)H(15)N(3)O(5), obtained from a condensation reaction of 4-acet-oxy-3-meth-oxy-benzaldehyde and 4-nitro-phenyl-hydrazine, adopts an E geometry with respect to the C=N double bond. The mol-ecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90?(9)°. In the crystal, inter-molecular N-H?O hydrogen bonds link centrosymmetrically related pairs of mol-ecules, forming dimers of R(2) (2)(22) graph-set motif. The dimers are further connected through slipped ?-? inter-actions between symmetry-related benzene rings [centroid-centroid distance of 3.646?(1)?Å, offset angle of 15.4°].

| S-EPMC2983317 | biostudies-literature

2-(2-{[2-(4-Pyridylcarbon-yl)hydrazinyl-idene]meth-yl}phen-oxy)acetic acid.

Project description:In the title compound, C(15)H(13)N(3)O(4), the pyridine and benzene rings are nearly perpendicular [dihedral angle = 84.24?(5)°]. In the crystal structure, classical O-H?N hydrogen bonding between the OH group of the carboxyl unit and a neighbouring pyridine ring N atom and N-H?O hydrogen bonding between the imine NH group and a neighbouring O atom of an acyl unit, together with complementary non-classical C-H?O hydrogen bonds between carboxyl O atoms and neighbouring CH groups, link the mol-ecules into a three-dimensional system.

| S-EPMC2979532 | biostudies-literature

1-Chloro-1-[(4-meth-oxy-phen-yl)hydrazinyl-idene]propan-2-one.

Project description:The non-H atoms of the title compound, C(10)H(11)ClN(2)O(2), lie nearly on a plane (r.m.s. deviation = 0.150?Å), and the C=N double bond has a Z configuration. In the crystal, adjacent mol-ecules are linked by an N-H?O(carbon-yl) hydrogen bond, forming a chain running along [201].

| S-EPMC3212343 | biostudies-literature

1,5-Bis[1-(4-meth-oxy-phen-yl)ethyl-idene]thio-carbonohydrazide.

Project description:In the title mol-ecule, C(19)H(22)N(4)O(2)S, the two benzene rings form a dihedral angle of 9.16?(13)°. In the crystal, pairs of weak inter-molecular C-H?S hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked through weak C-H?O inter-actions into sheets parallel to (012).

| S-EPMC3213572 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(3-meth-oxy-phen-yl)ethyl-idene]hydrazine.

Project description:There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(15)H(14)N(4)O(5), with different conformations for the meth-oxy groups. The mol-ecules are both slightly twisted, the dihedral angles between two benzene rings being 8.37 (18)° in one and 7.31 (18)° in the other. In both mol-ecules, the two nitro groups are essentially coplanar with their bound benzene ring, with the r.m.s. deviation of the dinitro-benzene plane being 0.0310 (3) Å in one mol-ecule and 0.0650 (3) Å in the other. In each mol-ecule, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions and stacked along the a axis through π-π inter-actions, with centroid-centroid distances of 3.651 (2) and 3.721 (2) Å. The crystal studied was a non-merohedral twin with a refined minor component of 20.1 (3)%.

| S-EPMC3393954 | biostudies-literature

Ethyl 3-[2-(p-tolyl-carbamothio-yl)hydrazinyl-idene]butano-ate.

Project description:The title compound, C(14)H(19)N(3)O(2)S, was obtained from a condensation reaction of N-(p-tol-yl)hydrazinecarbothio-amide and ethyl acetoacetate. The mol-ecule assumes an E configuration; the thio-semicarbazide and ester groups are located on the opposite sides of the C=N bond. The almost planar thio-semicarbazide unit (r.m.s. deviation = 0.0130?Å) is tilted at a dihedral angle of 49.54?(12)° with respect to the benzene ring. Inter-molecular N-H?N and N-H?S hydrogen bonding stabilizes the crystal structure. The eth-oxy group of the ester unit is disordered over two positions, with a site-occupancy ratio of 0.680?(10):0.320?(10).

| S-EPMC3009117 | biostudies-literature

N'-[1-(2-Hy-droxy-phen-yl)ethyl-idene]-2-meth-oxy-benzohydrazide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(16)H(16)N(2)O(3), in which the dihedral angles between the two aromatic rings are 13.0 (3) and 6.4 (3)°. Intra-molecular O-H⋯N and N-H⋯O hydrogen bonds are observed in both mol-ecules, forming S(6) rings in all cases.

| S-EPMC3006911 | biostudies-literature

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