Structure of cis and trans-4-Bromophenylstyrylsulfones

Structure of cis and trans-4-Bromophenylstyrylsulfones

The title compounds (C14H11O2SBr) are cis and trans-isomers of 4-bromophenylstyrylsulfone. These compounds crystallize in monoclinic space groups C2/c and P21/c, respectively. The cell parameters for cis are: a = 14.866(2)Å, b = 14.133(3)Å, c = 12.830(2)Å, β = 90.58(1)°, Z = 8, V = 2657.88(4)Å3 and...

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Veröffentlicht in:Analytical Sciences ; X-ray Structure and Analysis Online 2008, Vol.24, pp.x115-x116
Hauptverfasser: LALITHA, A., STEPHEN, A. David, PITCHUMANI, K., SRINIVASAN, C., KUMARADHAS, P.
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container_title Analytical Sciences ; X-ray Structure and Analysis Online
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STEPHEN, A. David
PITCHUMANI, K.
SRINIVASAN, C.
KUMARADHAS, P.
description The title compounds (C14H11O2SBr) are cis and trans-isomers of 4-bromophenylstyrylsulfone. These compounds crystallize in monoclinic space groups C2/c and P21/c, respectively. The cell parameters for cis are: a = 14.866(2)Å, b = 14.133(3)Å, c = 12.830(2)Å, β = 90.58(1)°, Z = 8, V = 2657.88(4)Å3 and Dcalc = 1.615 Mg m-3; trans are: a = 6.964(1)Å, b = 10.840(1)Å, c = 17.583(10)Å, β = 94.09(2)°, Z = 4, V = 1324.1(10)Å3 and Dcalc = 1.621 Mg m-3. The geometries of both molecules were compared. In the cis-isomer, the groups at C(7) and C(8) are cis oriented, as the torsion angle is 3.9(1)°, whereas in the trans-isomer the angle is 175.2(3)°, indicating that, the orientation is trans. The cis-isomer molecule exhibits a folded structure compared to the trans-isomer. In the molecular packing, two adjacent molecules form square-shaped structures in the crystal. This is one of the important facets of the molecular packing.
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David ; PITCHUMANI, K. ; SRINIVASAN, C. ; KUMARADHAS, P.</creator><creatorcontrib>LALITHA, A. ; STEPHEN, A. David ; PITCHUMANI, K. ; SRINIVASAN, C. ; KUMARADHAS, P.</creatorcontrib><description>The title compounds (C14H11O2SBr) are cis and trans-isomers of 4-bromophenylstyrylsulfone. These compounds crystallize in monoclinic space groups C2/c and P21/c, respectively. The cell parameters for cis are: a = 14.866(2)Å, b = 14.133(3)Å, c = 12.830(2)Å, β = 90.58(1)°, Z = 8, V = 2657.88(4)Å3 and Dcalc = 1.615 Mg m-3; trans are: a = 6.964(1)Å, b = 10.840(1)Å, c = 17.583(10)Å, β = 94.09(2)°, Z = 4, V = 1324.1(10)Å3 and Dcalc = 1.621 Mg m-3. The geometries of both molecules were compared. In the cis-isomer, the groups at C(7) and C(8) are cis oriented, as the torsion angle is 3.9(1)°, whereas in the trans-isomer the angle is 175.2(3)°, indicating that, the orientation is trans. The cis-isomer molecule exhibits a folded structure compared to the trans-isomer. 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In the cis-isomer, the groups at C(7) and C(8) are cis oriented, as the torsion angle is 3.9(1)°, whereas in the trans-isomer the angle is 175.2(3)°, indicating that, the orientation is trans. The cis-isomer molecule exhibits a folded structure compared to the trans-isomer. In the molecular packing, two adjacent molecules form square-shaped structures in the crystal. 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title Structure of cis and trans-4-Bromophenylstyrylsulfones
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