X-ray crystal structure of disazo dyes. Part 2: Derivatives of C.I. Disperse Yellow 23 and C.I. Disperse Orange 29

Freeman, Harold S.; McIntosh, Stanley A.; Singh, Phirtu

doi:10.1016/s0143-7208(96)00096-4

Cited by 12 publications

(7 citation statements)

References 4 publications

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“…1. (5) 736 (1) ÿ1063 (1) 10 766 (5) 23(1) C (6) 791 (1) ÿ1478 (1) 10 295 (6) 27(1) C (7) 674 (1) 310 (1) 9548 (6) 21(1) C (8) 821 (1) 605 (1) 8311 (5) 20(1) C (9) 834 (1) 1022 (1) 8704 (6) 22 (1) C(10) 692 (1) 1167 (1) 10 405 (5) 19 (1) Table 3 Selected bond lengths (Å ), bond angles, and torsion angles ( ) for C.I. Disperse Brown 1…”

Section: Resultsmentioning

confidence: 99%

X-ray crystal structure of C.I. Disperse Brown 1

Seo

Choi

et al. 2007

Dyes and Pigments

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Section: Resultsmentioning

confidence: 99%

X-ray crystal structure of C.I. Disperse Brown 1

Seo

Choi

et al. 2007

Dyes and Pigments

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“…860 (4) 7683 (2) 1039 (2) 22(1) C(4) À121(4) 8571 (3) 1279 (2) 27(1) C (5) 108 (4) 9262 (3) 2169 (2) 26(1) C (6) 1355 (4) 9076 (2) 2849 (2) 23(1) C (7) 2335 (4) 8209 (3) 2617 (2) 24(1) C (8) 2097 (4) 7494 (3) 1719 (2) 25(1) C (9) 1047 (4) 11228 (3) 4878 (2) 24(1) C(10) 5(4) 12091 (3) 5061 (2) 26(1) C (11) 185 (4) 12863 (3) 5925 (2) 26(1) C (12) 1439 (4) 12738 (3) 6630 (2) 29(1) C (13) 2492 (4) 11898 (3) 6470 (2) 31(1) C (14) 2327 (4) the acetonitrile solution of the purified dye after two weeks of storage in a refrigerator. The crystal used exists in the triclinic space group P-1.…”

Section: Resultsunclassified

Single crystal X-ray structure of C.I. Disperse Yellow 3

Seo¹,

Jo²,

Choi³

et al. 2008

Dyes and Pigments

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“…Among the aCDs available in the database, we arbitrarily selected the compound referred to CHXAMH02 [45]. Starting from the compound referred as POXAW [46] in CSD, the 4,4 0 -[azobis(4,1-phenyleneazo)]bis [2,6-dimethylphenol] guest molecule was built using the Materials Studio building tools [47]. The a-CD and the guest molecule were then optimised separately with the PCFF Materials Studio FF [47].…”

Section: D-structure Generationmentioning

confidence: 99%

“…The starting configurations for the geometry optimisations were built using the Materials Studio [46] tools to place the COM of the a-CDs close to the middle of the N N bond of the chain. More precisely, one set of coordinates was determined such as the a-CDs were placed around two successive azo bonds and a second set of coordinates was determined such as to place the a-CDs around the two end azo bonds.…”

Section: Molecular Dynamics Of the [3]rotaxanementioning

confidence: 99%