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2-[(2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]propanedinitrile

Journal Article · · Acta Crystallographica. Section E
 [1];  [2];  [2]
  1. Pennsylvania State Univ., University Park, PA (United States). Dept. of Chemistry; DOE/OSTI
  2. Pennsylvania State Univ., University Park, PA (United States). Dept. of Chemistry
+ Show Author Affiliations
The π system of the title compound, known as julolidinemalononitrile, C16H15N3, is nearly planar, with a 3.5 (1)° twist between the aromatic and dicyano-vinyl groups. The bond lengths indicate significant zwitterionic character in the ground state.
Research Organization:
Pennsylvania State Univ., University Park, PA (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE Office of Science (SC)
Grant/Contract Number:
FG02-89ER14020
OSTI ID:
1625733
Journal Information:
Acta Crystallographica. Section E, Journal Name: Acta Crystallographica. Section E Journal Issue: 7 Vol. 65; ISSN 1600-5368
Publisher:
International Union of CrystallographyCopyright Statement
Country of Publication:
United States
Language:
English

References (11)

Molecular Rotors—Fluorescent Biosensors for Viscosity and Flow journal September 2007
X-ray crystal structures, molecular mechanics and quantum chemical calculations, and calculations of the nonlinear optical polarizabilities in the series of monohalogen substituted derivatives of dicyanovinylbenzene journal May 2003
Effect of viscosity and temperature on torsional relaxation of molecular rotors journal October 1982
Free Volume Dependence of the Internal Rotation of a Molecular Rotor Probe in Room Temperature Ionic Liquids journal December 2008
Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory journal April 2009
Coupling of Probe Reorientation Dynamics and Rotor Motions to Polymer Relaxation As Sensed by Second Harmonic Generation and Fluorescence journal November 1995
Molecular rotors—fluorescent biosensors for viscosity and flow journal January 2007
A short history of SHELX journal December 2007
Refinement of the crystal structure of p -benzoquinone at –160°C journal March 1978
2-[4-(Dimethylamino)phenyl]ethylene-1,1-dinitrile journal February 2001
Relation Between Bond-Length Alternation and Second Electronic Hyperpolarizability of Conjugated Organic Molecules journal July 1993

Cited By (1)

Crystal structure and DFT study of 8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1- ij ]quinoline-9-carbaldehyde journal April 2017

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Crystallography