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2-[(5-Chloro-2-hy-droxy-benzyl-idene)amino]-3',6'-bis-(diethyl-amino)-spiro-[isoindoline-1,9'-xanthen]-3-one.

ABSTRACT: The title compound, C(35)H(35)ClN(4)O(3), resulted from a spiro-lactam ring closure of rhodamine B dye. The xanthene ring system is approximately planar [r.m.s. deviation = 0.050?(9)?Å for the xanthene ring]. The dihedral angles formed by the spiro-lactam and 5-chloro-2-hy-droxy-benzene rings with the xanthene ring system are 87.9?(7) and 79.1?(7)°, respectively.

SUBMITTER: Xu ZH

PROVIDER: S-EPMC2979414 | biostudies-other | 2010 May

REPOSITORIES: biostudies-other

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2-[(5-Chloro-2-hy-droxy-benzyl-idene)amino]-3',6'-bis-(diethyl-amino)-spiro-[isoindoline-1,9'-xanthen]-3-one.

Xu Zhi-Hong ZH Guo Wei-Yun WY Su Bo-Wei BW Shen Xu-Ke XK Yang Feng-Ling FL

Acta crystallographica. Section E, Structure reports online 20100529 Pt 6

The title compound, C(35)H(35)ClN(4)O(3), resulted from a spiro-lactam ring closure of rhodamine B dye. The xanthene ring system is approximately planar [r.m.s. deviation = 0.050 (9) Å for the xanthene ring]. The dihedral angles formed by the spiro-lactam and 5-chloro-2-hy-droxy-benzene rings with the xanthene ring system are 87.9 (7) and 79.1 (7)°, respectively. ...[more]

PMID: 21579560

Similar Datasets

3',6'-Bis(diethyl-amino)-2-[(E)-2-(4-hy-droxy-3-meth-oxy-benzyl-idene-amino)-eth-yl]spiro-[isoindoline-1,9'-xanthen]-3-one ethanol monosolvate.

Project description:In the title compound, C(38)H(42)N(4)O(4)·C(2)H(6)O, prepared via a spiro-lactam ring-formation reaction in a rhodamine dye, the xanthene ring system is approximately planar (r.m.s. deviation = 0.0014Å) and subtends dihedral angles of 88.10?(3) and 86.92?(4)° with the spiro-lactam (r.m.s. deviations = 0.0012?Å) and benzene rings, respectively. The crystal structure consists of chains parallel to [-101], formed via O-H?O inter-actions.

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2-[(E)-2-(Benzyl-idene-amino)-eth-yl]-3',6'-bis-(diethyl-amino)-spiro-[isoindoline-1,9'-xanthen]-3-one.

Project description:In the title compound, C(37)H(40)N(4)O(2), the xanthene and spiro-lactam rings are almost planar, with r.m.s. deviations from the mean planes of 0.223?(2) and 0.057?(2)?Å, respectively, and form a dihedral angle of 85.76?(3)°. The dihedral angle between the xanthene mean plane and the benzene ring is 87.16?(5)°. One of the two ethyl groups of one of the diethyl-amino groups is disordered over two sets of sites [0.76?(1):0.24?(1)].

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2-[(2,4-Dihydroxy-benzyl-idene)amino]-3',6'-bis-(ethyl-amino)spiro-[isoindoline-1,9'-xanthen]-3-one.

Project description:The title compound, C(35)H(36)N(4)O(4), was prepared as a spiro-lactam ring formation of rhodamine B dye for comparison with a ring-opened form. The xanthene ring system is approximately planar. The r.m.s. deviation from planarity is 0.064?(6)?Å for the xanthene ring. The dihedral angles formed by the spiro-lactam and 2,4-dihydroxy-benzene rings with the xanthene ring system are 86.6?(9) and 88.0?(9)°, respectively.

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3',6'-Bis(diethyl-amino)-2-phenyl-spiro[isoindoline-1,9'-xanthen]-3-one.

Project description:The title compound, C(34)H(35)O(2)N(3), was synthesized by the reaction of 2-[3,6-bis-(diethyl-amino)-9H-xanthen-9-yl]benzoyl chloride with aniline. In the mol-ecular structure, the dihedral angles between the isoindoline and xanthene planes and between the isoindoline and benzene planes are 86.9?(3) and 47.0?(2)°, respectively. The mol-ecular packing in the crystal structure is stabilized by weak C-H?O hydrogen bonding.

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Project description:In the title mol-ecule, C(30)H(36)N(4)O(3), the dihedral angle between the planes of the xanthene and spiro-lactam rings systems is 88.69?(4)°. Both C atoms of one of the ethyl groups are disordered over two sites with occupancies 0.72?(2)/0.28?(2). The conformation of the mol-ecule may be influenced by two intra-molecular hydrogen bonds.

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Project description:In the title compound, C(33)H(38)N(4)O(3), the mean planes of the 9H-xanthene unit and spiro-lactam (nine-atom) core are almost mutually perpendicular at 87.26?(6)°. Intra-molecular N-H?O and C-H?N inter-actions influence the 4-oxo-pent-2-en-2-yl-amino conformation. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into chains along [001].

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3',6'-Bis(ethyl-amino)-2',7'-dimethyl-2-{[2-[(E)-3,4-methyl-enedioxy-benzyl-idene-amino]eth-yl}spiro-[isoindoline-1,9'-xanthen]-3-one.

Project description:The title compound, C(36)H(36)N(4)O(4), was prepared as a spiro-lactam ring formation of the rhodamine dye for comparison with a ring-opened form. The xanthene ring system is approximately planar [r.m.s. deviations from planarity = 0.023?(9)?Å for the xanthene ring]. The dihedral angles formed by the spiro-lactam and 1,3-benzodioxole rings with the xanthene ring system are 86.8?(1) and 74.3?(1)°, respectively.

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(E)-4-[(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-benzonitrile.

Project description:The title compound, C(18)H(19)N(3)O, displays an E conformation with respect to the C=N double bond. The dihedral angle between the mean planes of the two benzene rings is 24.49 (3)°. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by nonclassical inter-molecular C-H⋯O hydrogen bonds to form an infinite one-dimensional chain along [010], generating a C(8) motif.

| S-EPMC3297948 | biostudies-literature

2-[(E)-4-Diethyl-amino-2-hy-droxy-benzyl-idene]hydrazinecarboxamide.

Project description:Two mol-ecules make up the asymmetric unit of the title compound, C(12)H(18)N(4)O(2), and both feature an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring. The diethyl-amino group of one of the mol-ecules is disordered over two sets of sites in a 0.59?(2):0.41?(2) ratio. In the crystal, N-H?O hydrogen bonds link the mol-ecules into sheets lying parallel to the ac plane and C-H?? inter-actions are also observed.

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(E)-4-[(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-benzoic acid.

Project description:In the title compound, C(18)H(20)N(2)O(3), a potential bidentate N,O-donor Schiff base ligand, the benzene rings are inclined at an angle of 12.25 (19)°. The mol-ecule has an E conformation about the C=N bond. One of the ethyl groups is disordered over two positions, with a refined site-occupancy ratio of 0.55 (1):0.45 (1). An intra-molecular O-H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, pairs of O-H⋯O hydrogen bonds link mol-ecules, forming inversion dimers with R(2) (2)(8) ring motifs.

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