Disordered Crystal Structure of 7-Chlorobenzodiazepin-2,4-dione

The single-crystal structure of 7-chlorobenzodiazepin-2,4-dione (C9H7ClN2O2) was determined at room temperature with X-rays and refined to R = 0.1067 for 890 observed reflections. This crystal is monoclinic, P21/m with Z = 2. The unit-cell dimensions are: a = 9.624(3)Å, b = 11.739(4)Å, c = 3.9853(11...

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Published inAnalytical Sciences ; X-ray Structure and Analysis Online Vol. 23; pp. x125 - x126
Main Authors MONDIEIG, D., NÉGRIER, Ph, LÉGER, J. M., MASSIP, S., BENALI, B., LAZAR, Z., BOUCETTA, A., LAKHRISSI, B., MASSOUI, M.
Format Journal Article
LanguageEnglish
Published Tokyo The Japan Society for Analytical Chemistry 2007
Japan Science and Technology Agency
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Summary:The single-crystal structure of 7-chlorobenzodiazepin-2,4-dione (C9H7ClN2O2) was determined at room temperature with X-rays and refined to R = 0.1067 for 890 observed reflections. This crystal is monoclinic, P21/m with Z = 2. The unit-cell dimensions are: a = 9.624(3)Å, b = 11.739(4)Å, c = 3.9853(11)Å, β = 94.83 (2)° and V = 448.6(2)Å3. The Cl(1) and H(2) atoms are disordered over two sites with 0.50 occupancy, the molecule is symmetrical to the mirror.
ISSN:1348-2238
1348-2238
1883-3578
DOI:10.2116/analscix.23.x125