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1-{(Z)-[2-Meth-oxy-5-(trifluoro-meth-yl)anilino]methyl-idene}naphthalen-2(1H)-one.

ABSTRACT: The title compound, C(19)H(14)F(3)NO(2), crystallizes in the keto-amine tautomeric form, with a strong intra-molecular N-H?O hydrogen bond. The mol-ecule is almost planar; the dihedral angle between the naphthalene ring system and the benzene ring is 4.60?(7)°. In the crystal, mol-ecules are linked into chains along the c axis by C-H?O hydrogen bonds. The F atoms of the trifluoro-methyl group are disordered over two positions with refined site occupancies of 0.668?(9) and 0.332?(9).

SUBMITTER: Karg?l? H

PROVIDER: S-EPMC3569228 | biostudies-other | 2013 Feb

REPOSITORIES: biostudies-other

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1-[(4-{[(2-Oxo-1,2-dihydro-naphthalen-1-yl-idene)meth-yl]amino}-anilino)methyl-idene]naphthalen-2(1H)-one dihydrate.

Project description:The title compound, C(28)H(20)N(2)O(2)·2H(2)O, comprises a Schiff base mol-ecule with an imposed inversion centre in the middle of p-phenyl-enediamine unit and water mol-ecules of crystallization. In the structure, the Schiff base mol-ecule is present as the keto-amino tautomer with a strong intra-molecular N-H?O hydrogen bond. The Schiff base mol-ecules and water mol-ecules of crystallization create infinite [010] columns through O-H?O hydrogen bonds. Inter-molecular attractions within columns are through additional ?-? inter-actions [centroid-centroid distance = 3.352?(1)?Å] between parallel Schiff base mol-ecules. The columns are joined into infinite (011) layers through weak C-H?O hydrogen bonds. The layers pack in an assembly by van der Waals attractions, only being effective between bordering non-polar naphthalene ring systems.

| S-EPMC3247366 | biostudies-literature

1-{(Z)-[3-(1-Hy-droxy-eth-yl)anilino]methyl-idene}naphthalen-2(1H)-one.

Project description:In the title compound, C19H17NO2, the dihedral angle between the benzene ring and the naphthalene ring system is 9.72?(5)°, while the torsion angle of the C-N-C-C bridging group is 179.24?(17)°. The methyl group of the 1-phenyl-ethanol moiety is disordered over two positions with a refined occupancy ratio of 0.775?(5):0.225?(5). The mol-ecular conformation is stabil-ized by an intra-molecular N-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming zigzag chains propagating along the c-axis direction. Neighbouring chains are linked via C-H?O inter-actions, forming a two-dimensional slab-like network parallel to the bc plane.

| S-EPMC3588315 | biostudies-literature

1-[(4-Hy-droxy-anilino)methyl-idene]naphthalen-2(1H)-one.

Project description:The title Schiff base, C17H13NO2, crystallizes in the zwitterionic form and an N-H⋯O hydrogen bond closes an S(6) ring. The dihedral angle between the aromatic ring systems is 15.62 (9)°. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into C(11) chains propagating in [010].

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Crystal structure of (E)-2-[(2-bromopyridin-3-yl)methyl-idene]-6-meth-oxy-3,4-di-hydro-naphthalen-1(2H)-one and 3-[(E)-(6-meth-oxy-1-oxo-1,2,3,4-tetra-hydro-naphthalen-2-ylidene)meth-yl]pyridin-2(1H)-one.

Project description:The title compounds C17H14BrNO2, (I), and C17H15NO3, (II), were obtained from the reaction of 6-meth-oxy-3,4-di-hydro-2H-naphthalen-1-one and 2-bromo-nicotinaldehyde in ethanol. Compound (I) was the expected product and compound (II) was the oxidation product from air exposure. In the crystal structure of compound (I), there are no short contacts or hydrogen bonds. The structure does display π-π inter-actions between adjacent benzene rings and adjacent pyridyl rings. Compound (II) contains two independent mol-ecules, A and B, in the asymmetric unit; both are non-planar, the dihedral angles between the meth-oxy-benzene and 1H-pyridin-2-one mean planes being 35.07 (9)° in A and 35.28 (9)°in B. In each mol-ecule, the 1H-pyridin-2-one unit participates in inter-molecular N-H⋯O hydrogen bonding to another mol-ecule of the same type (A to A or B to B). The structure also displays π-π inter-actions between the pyridyl and the benzene rings of non-equivalent mol-ecules (viz., A to B and B to A).

| S-EPMC4992914 | biostudies-literature

2-Fluoro-N'-[(2-meth-oxy-naphthalen-1-yl)methyl-idene]benzohydrazide.

Project description:The asymmetric unit of the title compound, C(19)H(15)FN(2)O(2), contains two mol-ecules, A and B, in which the dihedral angles between the ring systems are 46.4?(2) and 17.24?(14)°, respectively. In the crystal, mol-ecules are linked into [010] chains of alternating A and B species by N-H?O hydrogen bonds.

| S-EPMC3344106 | biostudies-literature

3-Chloro-N'-[(2-meth-oxy-naphthalen-1-yl)methyl-idene]benzohydrazide.

Project description:The title compound, C(19)H(15)ClN(2)O(2), was prepared by the reaction of 2-meth-oxy-1-naphthaldehyde with 3-chloro-benzohydrazide in methanol. The dihedral angle between the benzene ring and the naphthyl ring system is 69.0 (3)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains along the c axis. The crystal packing exhibits π-π inter-actions, as indicated by distances of 3.768 (3) Å between the centroids of the naphthyl rings of neighbouring mol-ecules.

| S-EPMC3051782 | biostudies-literature

2-[(E)-(Naphthalen-2-yl-imino)-meth-yl]-4-(trifluoro-meth-oxy)phenol.

Project description:In the title compound, C(18)H(12)F(3)NO(2), the planes of the benzene ring and the naphthalene system form a dihedral angle of 47.21 (3)°. The hy-droxy group is involved in an intra-molecular O-H⋯N hydrogen bond. In the crystal, weak C-H⋯O and C-H⋯F inter-actions link the mol-ecules related by translations along the c and a axes, respectively, into sheets.

| S-EPMC3343988 | biostudies-literature

3-(2-Amino-eth-yl)-2-[4-(trifluoro-meth-oxy)anilino]quinazolin-4(3H)-one.

Project description:In the title compound, C(17)H(15)F(3)N(4)O(2), the dihedral angle between the trifluoro-meth-oxy-substituted benzene ring and the pyrimidinone ring is 45.1?(5)°, while that between the fused benzene ring and the pyrimidinone ring is 0.67?(1)°. Part of one of the benzene rings and its trifluoro-meth-oxy substituent are disordered over two positions of approximately equal occupancy (0.51:0.49). Inter-molecular N-H?O and N-H?N hydrogen bonds contribute to the stability of the crystal structure. A weak intra-molecular C-H?F contact is also found. In addition, ?-? stacking inter-actions, with centroid-centroid distances in the range 3.673?(6)-3.780?(8)?Å, and weak C-H?? inter-actions are also observed.

| S-EPMC3006720 | biostudies-literature

4-[(3-Meth-oxy-anilino)methyl-idene]-2-phenyl-1,3-oxazol-5(4H)-one.

Project description:In the title compound, C(17)H(14)N(2)O(3), the oxazolone ring is essentially planar [maximum deviation = 0.004 (1) Å] and is oriented with respect to the phenyl and benzene rings at 10.06 (9) and 5.63 (8)°, respectively; the dihedral angle between the phenyl ring and the benzene ring is 15.69 (8)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains running along the a axis. Neighbouring chains are inter-connected by π-π stacking, the centroid-centroid distance being 3.6201 (9) Å.

| S-EPMC3343974 | biostudies-literature

N'-[(1E)-(2-Hy-droxy-naphthalen-1-yl)methyl-idene]-2-meth-oxy-benzohydrazide.

Project description:There are three independent mol-ecules in the asymmetric unit of the title compound, C(19)H(16)N(2)O(3), in which the dihedral angles between the naphthalene ring system and the benzene ring are 7.52?(16), 18.15?(18), and 13.9?(2)°. All the mol-ecules exist in the trans configuration with respect to the methyl-idene units. In each mol-ecule there is one O-H?N and one N-H?O intra-molecular hydrogen bond. In the crystal, two of the mol-ecules are linked via a bifurcated N-H?(O,O) hydrogen bond. All three mol-ecules are further linked via C-H?O inter-actions.

| S-EPMC3201446 | biostudies-literature

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