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Structure of the OD‐disordered 2‐Hydroxy‐4‐methoxy‐2H‐1,4‐benzoxazin‐3‐one, C 9 H 9 NO 4
Author(s) -
Kutschabsky L.,
Kretschmer R.G.,
Schrauber H.,
Dathe W.,
Schneider G.
Publication year - 1986
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170211209
Subject(s) - crystallography , crystal structure , maxima , molecule , chemistry , lattice (music) , crystal (programming language) , group (periodic table) , unit (ring theory) , physics , mathematics , art , mathematics education , organic chemistry , performance art , computer science , acoustics , programming language , art history
The X‐ray diagrams of the title compound show pronounced maxima on diffuse streaks parallel c * and unusual extinctions. The intensity distribution is compatible with the assumption of a disordered (OD) structure consisting of one kind of layers. The structure contains ordered domains with the crystal data: monoelinic, space group P 2 1 /a, lattice parameters a = 15.910(5), b = 8.365(4), c = 15.747(5) Å, β = 120.34(6)°, V = 1809 Å 3 , Z = 8, M r = 195.1, D x = 1.432 Mg m −3 , μ(MoKα) = 0.36 mm −1 , final R = 0.129 for 859 observed reflections. The asymmetric unit is constituted of two crystallographically independent molecules related by a pseudo glide plane. The crystal used for X‐ray analysis proved to be twinned.