2005
DOI: 10.1107/s1600536805030746
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5-Chlorocarbonyl-10,11-dihydro-5H-dibenz[b,f]azepine

Abstract: Key indicatorsSingle-crystal X-ray study T = 295 K Mean (C-C) = 0.005 Å R factor = 0.063 wR factor = 0.119 Data-to-parameter ratio = 17.7For details of how these key indicators were automatically derived from the article, see

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Cited by 3 publications
(5 citation statements)
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References 15 publications
(20 reference statements)
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“…deviation = 0.0004 A Ê ; maximum deviation = 0.0008 (11) A Ê for atom C15]. Overall, this azepine conformation results in the molecule of (III) taking on à butter¯y' shape, as previously described for related carbamazepine derivatives (Vijay et al, 2005 A view of (III), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitray radii.…”
Section: Commentsupporting
confidence: 59%
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“…deviation = 0.0004 A Ê ; maximum deviation = 0.0008 (11) A Ê for atom C15]. Overall, this azepine conformation results in the molecule of (III) taking on à butter¯y' shape, as previously described for related carbamazepine derivatives (Vijay et al, 2005 A view of (III), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitray radii.…”
Section: Commentsupporting
confidence: 59%
“…The crystal structures of various derivatives of carbamazepine have been reported (Himes et al, 1981;Lisgarten et al, 1989;Hempel et al, 2005;Nagaraj et al, 2005;Johnston et al, 2005). Recently, the crystal structure of 5-chlorocarbonyl-10,11-dihydro-5H-dibenz [b,f]azepine, (II), was published (Vijay et al, 2005). The structure of the title compound, 10,11dihydrocarbamazapine, (III), was reported by Bandoli et al (1992) to be monoclinic, space group P2 1 /c.…”
Section: Commentmentioning
confidence: 99%
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“…The bent transition state is an intermediate conformation state of a cycloheptane, between boat and chair, and is characterized in the ideal case by the following contiguous torsion angles as calculated by Bocian et al (1975) and Bocian & Strauss (1977): 75.1, À60.3, À1.8, 1.7, 60.3, À75.1 and 0.0 . Similar conformations of the tricyclic ring were also observed in nortriptyline and amitriptyline hydrochloride (Klein et al, 1991(Klein et al, , 1994 and related compounds (Vijay et al, 2005;Portalone et al, 2007).…”
Section: Commentsupporting
confidence: 64%
“…The bioactive compounds studied are carbamazepine (CBZ), coenzyme Q 10 (CoQ 10 ), and two sterols: cholesterol (Chl) and phytosterols (PSs, plant sterols). CBZ (5H-dibenz[b,f]azepine-5-carboxamide, Figure A) is an important antiepileptic agent and drug to treat trigeminal neuralgia belonging to the family of iminostilbenes. CoQ 10 is a ubiquinone composed of 50-carbon polyisoprene with a terminal quinone domain (Figure B). It is an integral and essential part of mitochondrial ATP synthesis, carrying electrons and protons in oxidative phosphorylation and in other proton-pumping processes in the membranes.…”
Section: Introductionmentioning
confidence: 99%