The mol-ecule of the title compound C18H12N2O4 is situated on a

The mol-ecule of the title compound C18H12N2O4 is situated on a crystallographic centre of symmetry. the mol-ecules is provided by weak inter-actions only (1996 ?); Norman (1996 ?); Rajopadhye & Popp (1988 ?). For details of the synthesis see: Hyatt (2007 ?). For the melting point see: Schmidt (2008 ?)·For a description of the Cambridge Structural Database see: Allen (2002 ?). Experimental Crystal data C18H12N2O4 = 320.30 Monoclinic = 12.2572 (3) ? = 5.2314 (1) ? = 12.5122 (3) ? β = 115.747 (1)° = 722.66 (3) ?3 = 2 Mo = 296 K 0.45 × 0.32 × 0.25 mm Data PH-797804 collection Bruker APEXII CCD area-detector diffractometer Absorption correction: multi-scan (> 2σ(= 1.05 1714 reflections 110 parameters H-atom parameters constrained Δρmax = 0.19 e ??3 Δρmin = ?0.16 e ??3 Data collection: (Bruker 2007 ?); cell refinement: and (Bruker 2007 ?); data reduction: (Sheldrick 2008 ?); program(s) used to refine structure: (Sheldrick 2008 ?); molecular graphics: (Sheldrick 2008 ?); PH-797804 software used to prepare material for publication: and (Spek 2009 ?). ? Table 1 Hydrogen-bond geometry (? °) Table 2 C=O?π inter-actions (? °) Supplementary Material Crystal structure: contains datablocks I global. DOI: 10.1107/S1600536810018957/fb2183sup1.cif Click here to view.(15K cif) Structure factors: contains datablocks I. DOI: 10.1107/S1600536810018957/fb2183Isup2.hkl Click here to view.(84K hkl) Additional supplementary materials: crystallographic information; 3D view; checkCIF report Acknowledgments This work was supported by the National Natural Science Foundation of China (project No. 20972099) and the Beijing Municipal Commission of Education (project No. KM200710028008). supplementary crystallographic information Comment Isatins present a wide range of important biological and pharmacological activities. Fungicide (Breinholt (2008). The orange crystals of the title compound that measured 0.4 × 0.30 × 0.20 mm on average were obtained by slow evaporation from the solution of dichloromethane = 320.30= 12.2572 (3) ?Cell parameters from 243 reflections= Mouse monoclonal to CD41.TBP8 reacts with a calcium-dependent complex of CD41/CD61 ( GPIIb/IIIa), 135/120 kDa, expressed on normal platelets and megakaryocytes. CD41 antigen acts as a receptor for fibrinogen, von Willebrand factor (vWf), fibrinectin and vitronectin and mediates platelet adhesion and aggregation. GM1CD41 completely inhibits ADP, epinephrine and collagen-induced platelet activation and partially inhibits restocetin and thrombin-induced platelet activation.? It is useful in the morphological and physiological studies of platelets and megakaryocytes. 5.2314 (1) ?θ = 1.8-27.2°= 12.5122 (3) ?μ = 0.11 mm?1β = 115.747 (1)°= 296 K= PH-797804 722.66 (3) ?3Block orange= 20.45 × 0.32 × 0.25 mm PH-797804 View it in a separate window Data collection Bruker APEXII CCD area-detector diffractometer1714 independent reflectionsRadiation source: fine-focus sealed tube1496 reflections with > 2σ(= ?16→16= ?6→613976 measured reflections= ?16→16 View it in a separate window Refinement Refinement on = 1/[σ2(= (= 1.05(Δ/σ)max < 0.0011714 reflectionsΔρmax = 0.19 e ??3110 parametersΔρmin = ?0.16 e ??30 restraintsExtinction correction: (Sheldrick 2008 Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/424 constraintsExtinction coefficient: 0.060 (5)Primary atom site location: structure-invariant direct methods View it in a separate window Special details Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the PH-797804 full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.Refinement. Refinement of are based on are based on set to zero for negative F2. The threshold PH-797804 expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F and R– factors based on ALL data will be even larger. View it in a separate window Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (?2) xyzUiso*/UeqC10.22945 (10)?0.0885 (2)0.68434 (10)0.0390 (3)C20.26127 (11)?0.2721 (3)0.62433 (12)0.0474 (3)H50.2193?0.29050.54250.057*C30.35869 (12)?0.4288 (3)0.69112 (14)0.0539.