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

ABSTRACT: 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.

SUBMITTER: Xu ZH

PROVIDER: S-EPMC2979423 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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

Xu Zhi-Hong ZH Zhang Yan-Ling YL Zhao Yan-Ru YR Yang Feng-Ling FL

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

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. ...[more]

PMID: 21579564

Similar Datasets

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

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

Project description:The title compound, C(33)H(34)N(4)O(2)S·CH(3)OH, was prepared as a spiro-lactam ring formation of rhodamine 6 G dye for comparison with a ring-opened form. The xanthene and spiro-lactam rings are approximately planar [r.m.s. deviations from planarity = 0.122 (3) and 0.072 (6) Å, respectively]. The dihedral angles formed by the spiro-lactam and thio-phene rings with the xanthene ring system are 89.7 (6) and 86.5 (2)°, respectively. The crystal structure features N-H⋯O and C-H⋯O hydrogen bonds.

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3',6'-Bis(ethyl-amino)-2-[(2-hydroxy-ethyl)-amino]-2',7'-dimethylspiro-[isoindoline-1,9'-xanthen]-3-one.

Project description:In the title compound, C(28)H(32)N(4)O(3), the dihedral angle between the planes of the xanthene ring system and the spiro-lactam ring is 85.99 (3)°. Mol-ecules are linked by inter-molecular O-H⋯O and N-H⋯O hydrogen-bonding inter-actions.

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2-[(E)-(2,4-Dichloro-benzyl-idene)amino]-isoindoline-1,3-dione.

Project description:In the title compound, C(15)H(8)Cl(2)N(2)O(2), the mol-ecule adopts an E configuration about the central C=N double bond. The isoindoline ring is essentially planar, with a maximum deviation of 0.019?(2)?Å. The dihedral angle between the isoindoline ring and the dichloro-substituted benzene ring is 6.54?(9)°. An intra-molecular C-H?O hydrogen bond occurs. A short Cl?Cl contact of 3.4027?(9)?Å is present in the crystal structure. The crystal packing is further stabilized by weak C-H?? inter-actions.

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(Z)-3',6'-Bis(diethyl-amino)-2-(4-oxopent-2-en-2-yl-amino)-spiro-[isoindoline-1,9'-xanthen]-3-one.

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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