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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.

ABSTRACT: 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.

SUBMITTER: Xu ZH

PROVIDER: S-EPMC2977299 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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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.

Xu Zhi-Hong ZH Wang Hong-Sheng HS Tao Lian-Ting LT Wang Hong-Wei HW

Acta crystallographica. Section E, Structure reports online 20090715 Pt 8

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. ...[more]

PMID: 21583570

Similar Datasets

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

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[(2-{[3',6'-Bis(ethyl-amino)-2',7'-dimethyl-3-oxospiro-[1H-isoindole-1,9'-9H-xanthen]-2-yl}eth-yl)amino-meth-yl]phenol.

Project description:The title compound, C(35)H(38)N(4)O(3), was prepared as a spiro-lactam ring formation of rhodamine dye for comparison with a ring-opened form. The xanthene ring system is approximately planar. The dihedral angles formed by the spiro-lactam and phenol rings with the xanthene ring system are 85.7 and 109.4°, respectively. Each of the mol-ecules in the crystal structure contains one intra-molecular O-H⋯N hydrogen bond, and they form inter-molecular N-H⋯O hydrogen-bonded chains along the [100] direction. Weak inter-molecular C-H⋯O hydrogen-bonding contacts connect the infinite chains via crystallographic inversion centres to form a two-dimensional network.

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