Crystal structure of 2,2′-({[2-(tritylsulfanyl)benzyl]azanediyl}bis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
In the structure of the title compound, C 46 H 37 N 3 O 4 S, the planes of the two isoindoline units make a dihedral angle of 77.86 (3)°. The dihedral angles between the benzyl plane and the isoindoline units are 79.56 (4) and 3.74 (9)°. The geometry at the S atom shows a short [1.7748 (17) Å] S—C b...
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| Published in: | Acta crystallographica. Section E, Structure reports online Vol. 70; no. 9; pp. o895 - o896 |
|---|---|
| Main Authors: | , , , |
| Format: | Journal Article |
| Language: | English |
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International Union of Crystallography
01-09-2014
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| Abstract | In the structure of the title compound, C
46
H
37
N
3
O
4
S, the planes of the two isoindoline units make a dihedral angle of 77.86 (3)°. The dihedral angles between the benzyl plane and the isoindoline units are 79.56 (4) and 3.74 (9)°. The geometry at the S atom shows a short [1.7748 (17) Å] S—C
benzyl
and a long [1.8820 (15) Å] S—C
trityl
bond and the C—S—C angle is 108.40 (7)°. N—C bond lengths around the azane N atom are in the range 1.454 (2)–1.463 (2) Å. he crystal packing exhibts two rather `non-classical' C—H...O hydrogen bonds that result in stacking of the molecules along the
a
as well as the
b
axis and give rise to columnar sub-structures. |
|---|---|
| AbstractList | In the structure of the title compound, C46H37N3O4S, the planes of the two isoindoline units make a dihedral angle of 77.86 (3)°. The dihedral angles between the benzyl plane and the isoindoline units are 79.56 (4) and 3.74 (9)°. The geometry at the S atom shows a short [1.7748 (17) Å] S—Cbenzyl and a long [1.8820 (15) Å] S—Ctrityl bond and the C—S—C angle is 108.40 (7)°. N—C bond lengths around the azane N atom are in the range 1.454 (2)–1.463 (2) Å. he crystal packing exhibts two rather `non-classical' C—H...O hydrogen bonds that result in stacking of the molecules along the a as well as the b axis and give rise to columnar sub-structures. In the structure of the title compound, C 46 H 37 N 3 O 4 S, the planes of the two isoindoline units make a dihedral angle of 77.86 (3)°. The dihedral angles between the benzyl plane and the isoindoline units are 79.56 (4) and 3.74 (9)°. The geometry at the S atom shows a short [1.7748 (17) Å] S—C benzyl and a long [1.8820 (15) Å] S—C trityl bond and the C—S—C angle is 108.40 (7)°. N—C bond lengths around the azane N atom are in the range 1.454 (2)–1.463 (2) Å. he crystal packing exhibts two rather `non-classical' C—H...O hydrogen bonds that result in stacking of the molecules along the a as well as the b axis and give rise to columnar sub-structures. |
| Author | Flörke, Ulrich Ortmeyer, Jochen Henkel, Gerald Neuba, Adam |
| Author_xml | – sequence: 1 givenname: Ulrich surname: Flörke fullname: Flörke, Ulrich – sequence: 2 givenname: Adam surname: Neuba fullname: Neuba, Adam – sequence: 3 givenname: Jochen surname: Ortmeyer fullname: Ortmeyer, Jochen – sequence: 4 givenname: Gerald surname: Henkel fullname: Henkel, Gerald |
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| Cites_doi | 10.1021/jo00123a035 10.1002/zaac.201300066 10.2116/xraystruct.25.55 10.1016/S0277-5387(02)00960-9 10.1107/S0108767307043930 10.3390/80700565 10.1107/S1600536809045565 |
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| References | Formica (bt6987_bb3) 2002; 21 Sagrera (bt6987_bb9) 2009; 24 Barrett (bt6987_bb1) 1995; 18 bt6987_bb2 Qi (bt6987_bb8) 2009; 65 Latxague (bt6987_bb6) 2009; 25 Sheldrick (bt6987_bb11) 2008; 64 Hoppe (bt6987_bb4) 2013; 639 bt6987_bb7 bt6987_bb10 Howell (bt6987_bb5) 2003; 8 |
| References_xml | – volume: 24 start-page: 4190 year: 2009 ident: bt6987_bb9 publication-title: Synthesis contributor: fullname: Sagrera – volume: 18 start-page: 5946 year: 1995 ident: bt6987_bb1 publication-title: J. Org. Chem. doi: 10.1021/jo00123a035 contributor: fullname: Barrett – volume: 639 start-page: 1504 year: 2013 ident: bt6987_bb4 publication-title: Z. Anorg. Allg. Chem. doi: 10.1002/zaac.201300066 contributor: fullname: Hoppe – volume: 25 start-page: 55 year: 2009 ident: bt6987_bb6 publication-title: X-ray Structure Analysis Online doi: 10.2116/xraystruct.25.55 contributor: fullname: Latxague – volume: 21 start-page: 1351 year: 2002 ident: bt6987_bb3 publication-title: Polyhedron doi: 10.1016/S0277-5387(02)00960-9 contributor: fullname: Formica – volume: 64 start-page: 112 year: 2008 ident: bt6987_bb11 publication-title: Acta Cryst. A doi: 10.1107/S0108767307043930 contributor: fullname: Sheldrick – ident: bt6987_bb2 – volume: 8 start-page: 565 year: 2003 ident: bt6987_bb5 publication-title: Molecules doi: 10.3390/80700565 contributor: fullname: Howell – ident: bt6987_bb10 – ident: bt6987_bb7 – volume: 65 start-page: m1507 year: 2009 ident: bt6987_bb8 publication-title: Acta Cryst. E doi: 10.1107/S1600536809045565 contributor: fullname: Qi |
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| Snippet | In the structure of the title compound, C
46
H
37
N
3
O
4
S, the planes of the two isoindoline units make a dihedral angle of 77.86 (3)°. The dihedral angles... In the structure of the title compound, C46H37N3O4S, the planes of the two isoindoline units make a dihedral angle of 77.86 (3)°. The dihedral angles between... |
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| Title | Crystal structure of 2,2′-({[2-(tritylsulfanyl)benzyl]azanediyl}bis(ethane-2,1-diyl))bis(isoindoline-1,3-dione) |
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