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2-[(5-Chloro-2-oxidobenzyl-idene)aza-nium-yl]-2-methyl-propane-1,3-diol.

ABSTRACT: The title compound, C(11)H(14)ClNO(3), was prepared by the condensation of equimolar quanti-ties of 5-chloro-salicyl-aldehyde and 2-amino-2-methyl-propane-1,3-diol in methanol. In the crystal, it exists in the zwitterionic form, with nominal proton transfer from the phenol group to the imine N atom. This results in the formation of an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring. Inter-molecular O-H⋯O hydrogen bonds arise from the hy-droxy groups, forming (001) sheets.

SUBMITTER: Wang DY

PROVIDER: S-EPMC3274988 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4,6-Dichloro-2-[(E)-(2-{[(E)-3,5-dichloro-2-oxidobenzyl-idene]aza-nium-yl}eth-yl)iminiumylmeth-yl]phenolate.

Project description:The asymmetric unit of the title compound, C(16)H(12)Cl(4)N(2)O(2), comprises half of a potentially tetra-dentate Schiff base ligand, located about a twofold rotation axis which bis-ects the central C-C bond of the ethane-1,2-diamine group. In the solid state, the compound exists in the zwitterionic form. There are two intra-molecular N-H⋯O hydrogen bonds making S(6) ring motifs. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming two-dimensional frameworks which lie parallel to (100). There are also short Cl⋯Cl [3.4395 (9) Å] contacts present.

| S-EPMC3394033 | biostudies-literature

2-[2-(3-Chloro-phen-yl)hydrazinyl-idene]-1,3-diphenyl-propane-1,3-dione.

Project description:The mol-ecular structure of the title compound, C(21)H(15)ClN(2)O(2), features one strong intra-molecular N-H?O resonance-assisted hydrogen bond (RAHB). In the crystal, mol-ecules form inversion-related dimers via pairs of weak inter-molecular N-H?O contacts. These dimers are further stabilized via three weak C-H?O contacts, developing the three-dimensional structure.

| S-EPMC3120543 | biostudies-literature

2-[(Di-methyl-phenyl-phosphanyl-idene)aza-nium-yl]-5-methyl-benzene-sulfonate benzene monosolvate.

Project description:The title compound, C15H18NO3PS·C6H6, is a rare example of a crystallographically characterized exocyclic phosphiniminium-arene-sulfonate zwitterion, which crystallises as its benzene solvate. The crystal structure shows that the N atom is protonated and that the iminium H atom forms both intra- and inter-molecular hydrogen bonds to the single-bonded sulfonate O atom in an R 2 (2)(4) graph-set motif. The dihedral angle between the aromatic rings in the main molecule is 89.49 (8)°.

| S-EPMC3685103 | biostudies-literature

2-Hy-droxy-5-[(E)-(1H-indol-3-yl-methyl-idene)aza-nium-yl]benzoate.

Project description:The zwitterionic title compound, C(16)H(12)N(2)O(3), was obtained as a result of the condensation of 5-amino-salicylic acid and 1H-indole-3-carbaldehyde. The whole mol-ecule is roughly planar: the 4-hy-droxy-anilinic group and the 1H-indole-3-carbaldehyde moieties are only slightly twisted, making a dihedral angle of 7.77?(11)°, whereas, the carboxyl-ate group makes a dihedral angle of 3.34?(45)° with the parent 4-hy-droxy-anilinic group. S(6) ring motifs are formed due to intra-molecular O-H?O hydrogen bonding. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds build up pseudo-rings with R(1) (2)(4), R(2) (1)(7) and R(2) (2)(14) ring motifs. These pseudo-dimers are further linked by N-H?O hydrogen bonds into a chain extending along [101]. C-H?? inter-actions also occur, along with offset ?-? inter-actions between the anilinic phenyl and the heterocyclic five-membered rings with a centroid-centroid distance of 3.5716?(19)?Å.

| S-EPMC3011759 | biostudies-literature

2,4-Dibromo-6-[(E)-({3-[(E)-(3,5-dibromo-2-oxidobenzyl-idene)aza-nium-yl]-2,2-dimethyl-prop-yl}iminium-yl)meth-yl]phenolate.

Project description:In the title mol-ecule, C(19)H(18)Br(4)N(2)O(2), the dihedral angle between the benzene rings is 73.9?(2)°. Two intra-molecular N-H?O hydrogen bonds make S(6) ring motifs. In the crystal, mol-ecules are linked via C-H?O inter-actions, forming chains propagating along the a-axis directon. A short C?Br [3.401?(5)?Å] contact is present in the crystal structure, which is further stabilized by a ?-? inter-action [centroid-centroid distance = 3.739?(3)?Å].

| S-EPMC3275012 | biostudies-literature

(1-Hy-droxy-ethyl-idene)(meth-yl)aza-nium bromide-N-methyl-acetamide (1/1).

Project description:The asymmetric unit of the organic hybrid salt, C(3)H(8)NO(+)·Br(-)·C(3)H(7)NO, comprises an N-methyl-acetamide cation, a N-methyl-acetamide mol-ecule and a bromide anion. The amide species are linked head-to-head through a short O⋯H⋯O hydrogen bond, giving a monocation, which is extended by N-H⋯Br hydrogen bonds into chains along the b-axis direction.

| S-EPMC3344601 | biostudies-literature

(3-Chloro-phen-yl)[(E)-2-(1,3-di-thio-lan-2-yl-idene)hydrazinyl-idene]methyl 3-chloro-benzoate.

Project description:In the title compound, C17H12Cl2N2O2S2, the di-thia-cyclo-pentane ring has an envelope conformation with one of the methyl-ene C atoms as the flap. The chloro-phenyl rings make a dihedral angle of 82.63?(7)°. In the crystal, ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.547?(2)?Å] link the mol-ecules into inversion dimers. Weak non-classical C-H?X (X = O, N, Cl) inter-actions further consolidate the packing, forming a layer structure parallel to (110).

| S-EPMC3648247 | biostudies-literature

1-[((E)-{2-[(2-Nitro-benz-yl)(2-{[(E)-(2-oxidonaphthalen-1-yl)methyl-idene]aza-nium-yl}eth-yl)amino]-eth-yl}aza-niumyl-idene)meth-yl]naphthalen-2-olate monohydrate.

Project description:The title Schiff base compound, C(33)H(30)N(4)O(4)·H(2)O, adopts an E configuration with respect to each C=N double bond. In the mol-ecule, there are naphthoxide anions and the protonated imino N atoms. Intra-molecular N-H⋯O hydrogen bonds lead to the formation of approximately planar (maximum deviation 0.029 Å for H atom) six-membered rings.. In the crystal, mol-ecules are linked by O-H⋯O and N-H⋯O hydrogen bonds as well as C-H⋯O contacts, leading to the formation of a three-dimensional network.

| S-EPMC3238971 | biostudies-literature

1-{[4-(4-{[(2-Oxidonaphthalen-1-yl)methyl-idene]aza-nium-yl}phen-oxy)phen-yl]iminiumylmeth-yl}naphthalen-2-olate.

Project description:The title Schiff base compound, C34H24N2O3, was prepared by a condensation reaction of bifunctional aromatic diamine (4,4'-diamino-diphenyl ether) with hy-droxy-naphtaldehyde. The asymmetric unit contains two independent mol-ecules with similar conformations. The compound contains a central oxygen bridge and two functionalized [(E)-(phenyl-iminio)meth-yl]naphthalen-2-olate units. The dihedral angles between the benzene rings linking to the central O atom are 74.64 (19) and 69.85 (18)° in the two independent mol-ecules. Intra-molecular O-H⋯O hydrogen bonding occurs between the protonated imino N atoms and deprotonated hy-droxy O atoms in both mol-ecules. In the crystal, weak C-H⋯O hydrogen bonds are observed.

| S-EPMC3629627 | biostudies-literature

4-[(4-Chloro-phen-yl)(hy-droxy)methyl-idene]isochromane-1,3-dione.

Project description:In the title compound, C(16)H(9)ClO(4), the six-membered heterocyclic ring adopts a screw-boat conformation. The benzene rings are oriented to each other at a dihedral angle of 59.26 (9)°. The mol-ecular structure exhibits a ring motif, viz. S(6), owing to an intra-molecular O-H⋯O hydrogen bond. The presence of C-H⋯O contacts generates an infinite chain along [001]. Also present are π-π stacking inter-actions between neighbouring isochromanedione benzene rings [centroid-centroid distance = 3.746 (1) Å], and C-O⋯π inter-actions [O⋯centroid = 3.934 (2) Å].

| S-EPMC3238994 | biostudies-literature

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