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(Z)-Methyl 4-({3-[(2,5-dioxoimidazolidin-4-yl-idene)meth-yl]-1H-indol-1-yl}meth-yl)benzoate.

ABSTRACT: In the title compound, C(21)H(17)N(3)O(4), pairs of mol-ecules form a planar[maximum deviation 0.0566 (9) Å] centrosymmetric imidazole dimer via two N-H⋯O hydrogen bonds. These dimeric units are linked by further N-H⋯O hydrogen bonds between the ester carbonyl group and the imidazolidine ring, formiing chains parallel to the c-axis direction. In addition, there are π-π stacking inter-actions between the planar imidazole pairs, with an inter-planar spacing of 3.301 (2) Å. There is a double bond with Z geometry connecting the imidazolidine and indole units.

SUBMITTER: Penthala NR

PROVIDER: S-EPMC2967975 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Methyl 4-(5-meth-oxy-1H-indol-3-yl)benzoate.

Project description:In the title compound, C(17)H(15)NO(3), the dihedral angle between the benzene ring and the indole ring system is 22.5?(3)°. In the crystal, mol-ecules are linked by N-H?? and C-H?O inter-actions.

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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.

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Project description:The conformation adopted by the title compound, C20H21N3O3, in the crystal is 'J'-shaped and appears to be at least partially directed by a weak intra-molecular C-H?N hydrogen bond. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming dimers with R 2 (2)(8) motifs. Furthermore, these dimers connect to each other via C-H?O and N-H?O hydrogen bonds to form a three-dimensional network.

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Project description:The structure of the title compound, C(17)H(15)N(3)O(4), displays inter-molecular O-H?N and O-H?O hydrogen bonding between adjacent mol-ecules. Intra-molecular O-H?O hydrogen bonds also occur. The molecule is essentially planar with a deviation of 0.090?(1)?Å from the best plane running through the connected ring systems.

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(E)-Methyl N'-[(1H-indol-3-yl)methyl-idene]hydrazinecarboxyl-ate 0.25-hydrate.

Project description:The asymmetric unit of the title compound, C(11)H(11)N(3)O(2)·0.25H(2)O, contains two independent organic mol-ecules and a water mol-ecule, which lies on a twofold rotation axis. The side chains of the two mol-ecules have slightly different orientations, the C=N-N-C torsion angle being -163.03 (15)° in one and -177.52 (14)° in the other, with each adopting a trans configuration with respect to the C=N bond. In the crystal, mol-ecules are linked into chains extending along b by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds and in addition, four inter-molecular C-H⋯π inter-actions are present.

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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 π-π inter-actions between symmetry-related benzene rings [centroid-centroid distance of 3.646 (1) Å, offset angle of 15.4°].

| S-EPMC2983317 | biostudies-literature

(Z)-Methyl 4-[3-(3-oxoquinuclidin-2-yl-idenemeth-yl)-1H-indol-1-ylmeth-yl]benzoate.

Project description:The title compound, C(25)H(24)N(2)O(3) was prepared by the reaction of (Z)-2-(1H-indol-3-ylmethyl-ene)-1-aza-bicyclo-[2.2.2]octan-3-one with methyl p-(bromo-meth-yl)benzoate, under phase-transfer catalytic (PTC) conditions using triethyl-benzyl-ammonium chloride and 50% w/v aqueous NaOH solution in dichloro-methane. The crystal structure indicates the presence of a double bond with Z geometry connecting the aza-bicyclic and indole groups.

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Project description:In the title compound, C(15)H(13)NO(4), the conjugated double-bond system between the two rings adopts a cis configuration and there is an intra-molecular indole-ketone C-H?O inter-action. The indole N-H group forms an inter-molecular hydrogen bond with a ketone O-atom acceptor, giving a chain structure along the ab direction. The O-heterocyclic ring adopts a boat conformation and makes a dihedral angle of 16.72?(6)° with the indole ring system.

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