C~15~H~13~N~3~O~2~ - C15H13N3O2

Sample Originator: Ray Jonesa.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

Loughborough Universitya
University of Southamptonb



Controlled Keywords:heterocycles
Date Created:14 December 2009
Deposited On:17 Dec 2009 15:27
Deposited By:Mr Steve Lamond

Depositor Comments

no hkl file.

Data collection parameters

Chemical formulaC15 H13 N3 O2
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a6.6845(3)
Cell length b8.8858(5)
Cell length c11.3118(6)
Cell angle alpha103.531(2)
Cell angle beta103.033(3)
Cell angle gamma93.107(3)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0408
R Factor (All)0.0630
Weighted R Factor (Obs)0.0920
Weighted R Factor (All)0.1018

Citation: Jones, Ray and Coles, Simon J. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1224/)
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