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2-aminophenalenone: Crystal data and molecular packing

Published online by Cambridge University Press:  10 January 2013

A. V. Yatsenko ,
V. V. Chernyshev  and
H. Schenk
A. V. Yatsenko
Affiliation:
General Chemistry Faculty, Department of Chemistry, Moscow State University, 119899 Moscow, Russia
V. V. Chernyshev
Affiliation:
General Chemistry Faculty, Department of Chemistry, Moscow State University, 119899 Moscow, Russia
H. Schenk
Affiliation:
Laboratory for Crystallography, Institute for Molecular Studies, University of Amsterdam, Nieuwe Achtergracht 166, 1018WV Amsterdam, The Netherlands
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Abstract

Powder diffraction data for 2-aminophenalenone at 295 K (P21/n, Z=4) are given, strong lines: 7.54/X, 7.26/9, 3.34/3. The cell parameters found are a=3.7213(3), b=16.550(2), c=15.095(2) Å, β=92.61(2)°. The crystal structure was determined using powder data and refined giving Rb=0.089. Disordered molecules form stacks along [100] with interplanar spacing of 3.48 Å.

Keywords

structure determinationRietveld refinementX-ray diffraction data
Type
Research Article
Information
Powder Diffraction , Volume 14 , Issue 1 , March 1999 , pp. 42 - 44
Copyright
Copyright © Cambridge University Press 1999

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References

Ayyangar, N. R., Joshi, S. V., Srinivasan, K. V., Puranik, V. G., Tavale, S. S., and Row, T. N. G. (1986). “Polycyclic compounds: Part III—color and chemical constitution of 2-aryl phenalen-1-one derivatives,” Dyes Pigm. 7, 81–92.CrossRefGoogle Scholar
Chernyshev, V. V., and Schenk, H. in press. “A grid search procedure of positioning a known molecule in an unknown crystal structure with the use of powder diffraction data,” Z. Kristallogr. 213.Google Scholar
Chernyshev, V. V., Yatsenko, A. V., Tafeenko, V. A., Sonneveld, E. J., Schenk, H., Makarov, V. A., Trounov, V. A., and Kurbakov, A. I. (1997). “Rotation and translation a known atomic fragment in the asymmetric part of the unit cell in the crystal structure determination using a limited set of diffraction data,” Proceedings of Russian National Conference for Using X-ray and Synchrotron Radiation, Neutrons and Electrons (RSNE-97), Dubna, 25–29 May 1997, 251–257 (Rus.).Google Scholar
Dollase, W. A. (1986). “Correction of intensities for preferred orientation in powder diffractometry: Application of the March model,” J. Appl. Crystallogr. 19, 267–272.CrossRefGoogle Scholar
Efendiev, T. Sh., Katarkevich, V. M., and Rubinov, A. N. (1985). “Generation of tunable picosecond pulses in a simple distributed feedback dye laser under nitrogen-laser pumping,” Opt. Commun. 55, 347–352.CrossRefGoogle Scholar
Solodar, S. L., and Kochkin, V. A. (1982). “Reactions of polycyclic ketones. XXII. 2,3-Diaminophenalenone and 4H-phenaleno[1,2-d]imidazol-4-one,” Zh. Org. Khim. 16, 424–434(Rus.).Google Scholar
Stewart, J. J. P. (1993). MOPAC7, QCPE Program No. 455.Google Scholar
Tafeenko, V. A., Solodar, S. L., and Medvedev, S. V. (1988). “X-ray structural study of 2-acetylaminophenalenone and benzanthrone,” Zh. Obshch. Khim. 58, 2600–2605(Rus.).Google Scholar
Werner, P.-E., Eriksson, L., and Westdahl, M. (1985). “TREOR—a semi-exhaustive trial-and-error powder indexing program for all symmetries,” J. Appl. Crystallogr. 18, 367–370.CrossRefGoogle Scholar
Yatsenko, A. V., Tafeenko, V. A., and Reznichenko, A. V. (1996a). “Crystal structure of 6-amino-1H-phenalen-1-one, C 13H 9NO,”Z. Kristallogr. 211, 942.CrossRefGoogle Scholar
Yatsenko, A. V., Tafeenko, V. A., and Reznichenko, A. V. (1996b). “Crystal structure of 2-chloro-6-methylamino-1H-phenalen-1-one, C 14H 11ClNO,” Z. Kristallogr. 211, 943–944.CrossRefGoogle Scholar
Yatsenko, A. V., Zhukov, S. G., Medvedev, S. V., and Stalnaya, T. V. (1996c). “Phase transition and expected non-linear polarizability of 1-hydroxy-4-(4-methyl-phenylamino)-9,10-anthraquinone,” Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 52, 1853–1856.CrossRefGoogle Scholar
Young, R. A., and Wiles, D. B. (1982). “Profile shape functions in Rietveld refinements,” J. Appl. Crystallogr. 15, 430–438.CrossRefGoogle Scholar
Zlokazov, V. B., and Chernyshev, V. V. (1992). “MRIA—a program for a full profile analysis of powder multiphase neutron-diffraction time-of-flight (direct and Fourier) spectra,” J. Appl. Crystallogr. 25, 447–451.CrossRefGoogle Scholar