The crystal structures of aflatoxin B1. I. The structure of the chloroform solvate of aflatoxin B1 and the absolute configuration of aflatoxin B1

Soest, T. C. van; Peerdeman, A. F.

doi:10.1107/s0567740870005228

Cited by 39 publications

(14 citation statements)

References 5 publications

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“…(2) The chlorine substituent atoms and the 5-methoxy side chain In the gem-dichloro system C1(14), C(3), Cl(15), the bond lengths are close to those found in chloroform (van Soest & Peerdeman, 1970), (1.74 A). The CI-C-CI bond angle is also normal.…”

Section: B--c/dmentioning

confidence: 64%

The crystal and molecular structure of methyl 3,3,4-trichloro-5-methoxyindolenine-2-carboxylate

Hough¹,

Rogers²

1974

Acta Crystallogr Sect B

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Section: B--c/dmentioning

confidence: 64%

The crystal and molecular structure of methyl 3,3,4-trichloro-5-methoxyindolenine-2-carboxylate

Hough¹,

Rogers²

1974

Acta Crystallogr Sect B

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“…Thcse diITercnces can bc explaincd with the aid of Fig. 5 of the preceding paper (van Soest & Peerdeman, 1970a). This figure shows a projection of the structure of attatoxin B1.…”

Section: Determination and Refinement Of The Structuresmentioning

confidence: 89%

“…In other words, the R value defined as Y[lFol--IFcll/~lFol was repeatedly calculated for a number of reflexions when the molecule was systematically moved through the unit cell (e.g. van Soest & Peerdeman, 1970a). For the orthorhombic modification, 18 strong low-order Okl reflexions and 20 strong low-order hOl reflexions were used.…”

Section: Determination and Refinement Of The Structuresmentioning

confidence: 99%

“…If aflatoxin B~ is recrystallized by diffusion of ethanol (in which it is only slightly soluble) into a saturated solution of the toxin in chloroform, crystals containing chloroform (modification I) are formed (van Soest & Peerdeman, 1970a). However, if a solution of the toxin in a mixture of chloroform and ethanol is slowly evaporated, two new modifications (II and lIl) are formed.…”

Section: Introduction Experimentalmentioning

confidence: 99%

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The crystal structures of aflatoxin B1. II. The structure of an orthorhombic and a monoclinic modification

Soest¹,

Peerdeman²

1970

Acta Crystallogr Sect B

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If aflatoxin B~ is recrystallized from a chloroform-ethanol mixture, both an orthorhombic and a monoclinic modification are formed. The orthorhombic crystals have the unit-cell constants a= 7.84, b = 6-36 and c= 28.35 A and the space group is P212121, while the constants for the monoclinic crystals are a= 7.93, b = 6.21, c = 14.04 A and ~--95.8 °. Their space group is P21. The crystal structures of the two modifications have been solved with the aid of the structure of aflatoxin BI. CHCI3 already known. The orientations of the aflatoxin B1 molecule were assumed to be the same in all three structures and the positions of the molecules were determined by calculating the value of the residual while they were moved systematically through the unit cell. Both structures consist (just as the structure of aflatoxin B~ .CHCI3) of strings of coplanar molecules in the directions [110] and [i10]. The molecules within a string have again two short CH3..-O contacts: 2.97 and 3.18 A for the orthorhombic form and 3.00 and 3.10 A for the monoclinic form. These short contacts point to an interaction between the molecules and may be called hydrogen bonds.

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“…Atom N ( Many organometallic and organic structures containing chloroform molecules have been reported to date. The structural role of this solvent is merely to occupy space in crystal lattices or to stabilize the compounds by forming weak H-bonds (van Soest & Peerdeman, 1970). In these structures, chloroform molecules were observed to have large thermal motion (Wilford, Smith & Powell, 1968;Preston & Kennard, 1969;Schaefer & Marsh, 1969;Park, Collins & Hoard, 1970;Lauher & Ibers, 1974;Wang, Huie & Schaefer, 1979), partially disordered configurations (Summerville, Cohen, Hatano & Scheidt, 1978;Johnson & Scheidt, 1978;Davis & Einstein, 1978), or both (Hall, Rae & Waters, 1967).…”

Section: C20h22c1n3oschc13mentioning

confidence: 99%

Antischistosomal analogs of hycanthone. III. Structure of the 1:1 chloroform solvate of 8-chloro-2-[2-(diethylamino)ethyl]-2H-[1]benzothiopyrano[4,3,2-cd]indazole-5-methanol, C20H22ClN3OS.CHCl3

Wei¹

1983

Acta Crystallogr C

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The crystal structures of aflatoxin B1. I. The structure of the chloroform solvate of aflatoxin B1 and the absolute configuration of aflatoxin B1

Cited by 39 publications

References 5 publications

The crystal and molecular structure of methyl 3,3,4-trichloro-5-methoxyindolenine-2-carboxylate

The crystal and molecular structure of methyl 3,3,4-trichloro-5-methoxyindolenine-2-carboxylate

The crystal structures of aflatoxin B1. II. The structure of an orthorhombic and a monoclinic modification

Antischistosomal analogs of hycanthone. III. Structure of the 1:1 chloroform solvate of 8-chloro-2-[2-(diethylamino)ethyl]-2H-[1]benzothiopyrano[4,3,2-cd]indazole-5-methanol, C20H22ClN3OS.CHCl3

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