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  • Inorganic Chemistry  (33)
  • 11
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 544 (1987), S. 149-158 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On Chalcogenolates. 176. Reaction of Acetamidine with Carbon Disulfide. 5. Crystal and Molecular Structure of N-Acetimidoyl Dithiocarbamic AcidN-Acetimidoyl dithiocarbamic acid crystallizes with Z = 8 in the monoclinic space group P21/c (No. 14) with cell dimensions a = 9.502(3) Å, b = 11.585(1) Å, c = 10.765(3) Å, β = 92.19(4)°. The crystal structure has been determined from single crystal X-ray data measured at 21°C and refined to a conventional R of 0,043 for 3450 independent reflections (Rw = 0,050).The acid exists in the dipolar form in two different conformations. The molecules are roughly plane. They are linked together by different S…H—N hydrogen bridges.
    Notes: N-Acetimidoyldithiocarbamidsäure kristallisiert mit Z = 8 in der monoklinen Raumgruppe P21/c (Nr. 14) mit den Gitterdimensionen a = 9,502(3) Å, b = 11,585(1) Å, c = 10,765(3) Å, Å = 92,19(4)Å. Die Struktur wurde aus röntgenographischen Einkristalldaten bei 21°C unter Verwendung von 3 450 symmetrieunabhängigen Reflexen bestimmt und bis zu einem konventionellen Zuverlässigkeitsfaktor von R = 0,043 verfeinert (Rw = 0,050).Die Säure liegt in der dipolaren Zwitterionenform in zwei unterschiedlichen Konformationen vor. Die Moleküle sind annähernd planar. Ihr Zusammenhalt untereinander erfolgt über verschiedene S…H—N-Wasserstoffbrücken.
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  • 12
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On Chalcogenolates. 170. Reaction of N,N′-Diphenyl Formamidine with Carbon Disulfide 3. Crystal Structure of Potassium N,N′-Diphenyl N-Formimidoyl Dithiocarbamate · DioxaneThe title compound K[S2C—N(C6H5)—CH=NC6H5] · C4H8O2 crystallizes with Z = 4 in the monoclinic space group P21/a with cell dimensions a = 10.703(2) Å, b = 18.068(3) Å, c = 10.504(3) Å, β = 100.96(3)°. The crystal structure has been determined from single crystal X-ray data measured at 20°C and refined to a conventional R of 0.052 for 4556 independent reflections (Rw = 0.054).The K+ cation is surrounded of one oxygen, one nitrogen, and three sulfur atoms to form a distorted trigonal bipyramid. The S2CNCN part of the anion, which exists as E, E conformer, is plane. The dioxane molecule has chair conformation without symmetry centre.
    Notes: Die Titelverbindung K[S2C—N(C6H5)—CH=NC6H5] · C4H8O2 kristallisiert monoklin mit Z = 4 in der Raumgruppe P21/a; Gitterdimensionen: a = 10,703(2) Å, b = 18,068(3) Å, c = 10,504(3) Å, β = 100,96(3)°. Die Kristallstruktur wurde aus röntgenographischen Einkristalldaten (20°C) unter Verwendung von 4556 symmetrieunabhängigen Reflexen bestimmt und bis zu einem konventionellen Gütefaktor von R = 0,052 verfeinert (Rw = 0,054).In der Verbindung ist das K+-Kation verzerrt trigonal-bipyramidal von einem Stickstoff-, einem Sauerstoff- und drei Schwefel-Atomen umgeben. Das Anion liegt in der E,E-Form vor, dessen S2CNCN-Teil planar ist. Das Dioxan-Molekül besitzt Sessel-Konformation und ist nicht zentrosymmetrisch aufgebaut.
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  • 13
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 569 (1989), S. 137-144 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On Chalcogenolates. 191. Esters of 2-Oxophenyldithioacetic Acid. 2. Crystal and Molecular Structure of the Methyl EsterThe title compound C6H5—CO—CS—SCH3 crystallizes with Z = 2 in the triclinic space group P1 with cell dimensions (-60°C) a = 6.236(4) Å, b = 7.972(2) Å, c = 9.589(4) Å, α = 88.42(3)°, β = 75.39(5)°, γ = 81.54(4)°. The structure has been determined from single crystal X-ray data measured at -60°C and refined to R = 0.085 and Rw = 0.087 for 2307 independent reflections. With nearly 20° the C=O bond is turned out of the plane of the phenyl ring.
    Notes: Die Titelverbindung C6H5—CO—CS—SCH3 kristallisiert triklin mit Z = 2 in der Raumgruppe P1 mit den Gitterdimensionen (-60°C) a = 6,236(4) Å, b = 7,972(2) Å, c = 9,589(4) Å, α = 88,42(3)°, β = 75,39(5)°, γ = 81,54(4)°. Die Kristallstruktur wurde aus bei -60°C vermessenen röntgenographischen Einkristalldaten unter Verwendung von 2307 symmetrieunabhängigen Reflexen bestimmt und bis auf Zuverlässigkeitsfaktoren von R = 0,085 und Rw = 0,087 verfeinert. Im Molekül ist die C=O-Bindung etwa 20° aus der Ebene des Phenylrings herausgedreht.
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  • 14
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 368 (1969), S. 127-132 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The dithiocarbamates M[SC(S)(NH2)] with M = K, Rb, Cs, [Φ4As] were prepared and investigated by chemical, X-Ray, and IR methods. The alkali dithiocarbamates crystallize monoclinic, and are isostructural with the high temperature modification (β) of NH4[SC(S). (NH2)] (data see „Inhaltsübersicht“). For these compounds the „Strukturchemische Volumenregel“ is valid. The IR spectra of the dithiocarbamates are discussed.
    Notes: Die Dithiocarbamate M[SC(S)(NH2] mit M = K, Rb, Cs, [Φ4As] wurden hergestellt und mit Hilfe chemischer, röntgenographischer und IR-spektroskopischer Methoden näher untersucht. Die Alkalimetalldithiocarbamate kristallisieren monoklin (pseudorhombisch) mit Z = 8 in der Raumgruppe I2/a-C2h6 oder Ia—Cs4 und sind mit der Hochtemperaturmodifikation (β) des NH4[SC(S)(NH2)] isostrukturell. Für diese Verbindungen ist die strukturchemische Volumenregel gut erfüllt. \documentclass{article}\pagestyle{empty}\begin{document}$$ \begin{array}{l} {\rm a} = 11,25,\,{\rm b} = 9,30,\,{\rm c} = 9,14\,{\AA}(\pm 0,02), \,\beta = 90,0 \pm 0,2^\circ \,{\rm f\ddot{u} r\, M} = {\rm K,} \\ {\rm a} = 11,59,\,{\rm b} = 9,52,\,{\rm c} = 9,39\,{\AA}(\pm 0,02), \,\beta = 90,0 \pm 0,2^\circ \,{\rm f\ddot{u} r\, M} = {\rm Rb,} \\ {\rm a} = 11,80,\,{\rm b} = 9,87,\,{\rm c} = 9,71\,{\AA}(\pm 0,02), \,\beta = 90,0 \pm 0,2^\circ \,{\rm f\ddot{u} r\, M} = {\rm Cs,} \\ \end{array} $$\end{document}. Die IR-Spektren der Dithiocarbamate werden diskutiert.
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  • 15
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 376 (1970), S. 73-78 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Yellow 1,3-dithiacyclobutanethione-(4) has been prepared by interaction of potassium trithiocarbonate with methylene iodide. This compound reacts with HNO3 and forms colourless 1,3-dithiacyclobutanone-(4).SCS2CH2 and OCS2CH2 were characterised by different methods.  -  X-ray data see „Inhaltsübersicht“.
    Notes: Gelbes 1,3-Dithiacyclobutanthion-(4) wurde durch Umsetzung von Kaliumtrithiocarbonat mit Dijodmethan hergestellt. Diese Verbindung reagiert mit HNO3 unter Bildung von farblosem 1,3-Dithiacyclobutanon-(4). SCS2CH2 und OCS2CH2 wurden mit chemischen, röntgenographischen, massenspektrometrischen und IR- sowie UV-spektroskopischen Methoden charakterisiert.SCS2CH2: a = 8,66 ± 0,02 Å, b = 10,10 ± 0,02 Å, c = 5,27 ± 0,01 Å, P212121—D24, Z = 4, dR20 = 1,761 g/ml, d420 = 1,754 ± 0,005 g/ml, Schmelzpunkt: 55,0 ± 1°C.OCS2CH2: a = 9,84 ± 0,02 Å, b = 10,36 ± 0,02 Å, c = 4,16 ± 0,01 Å, β = 95,4 ± 0,2°, P21/a—C2h5, Z = 4, dR20 = 1,665 g/ml, d420 = 1,661 ± 0,002 g/ml; Schmelzpunkt: 36,0 ± 1°C.
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  • 16
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 488 (1982), S. 87-93 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On Chalcogenolates. 111. Studies on Perthiocyanic Acid. 4. Crystal and Molecular Structure of Dimethyl Perthiocyanate(CH3)2C2N2S3 crystallizes with Z = 4 in the monoclinic space group P21/c with cell dimensions a = 7.661(4) Å, b = 11.675(5) Å, c = 9.549(5) Å, β = 116.7(3)·. The crystal and molecular structure has been determined from single X-ray data at 20°C and refined to a conventional R of 0.062. The structure consists of isolated 3,5-bis(methylmercapto)-1,2,4-thiadiazole molecules. The 1,2,4-thiadiazole ring is plane and stabilized by mesomerism.
    Notes: (CH3)2C2N2S3 kristallisiert monoklin mit a = 7,661(4) Å, b = 11,675(5) Å, c = 9,549(5) Å, β = 116,7(3)° in der Raumgruppe P21/c; Z = 4. Die Struktur wurde aus röntgenographischen Einkristalldaten bei 20°C bestimmt und bis zu einem konventionellen R-Faktor von 0,062 verfeinert. Die Struktur besteht aus isolierten 3,5-Bis(methylmercapto)-1,2,4-thiadiazol-Molekülen. Der 1,2,4-Thiadiazol-Ring ist planar und mesomeriestabilisiert.
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  • 17
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 525 (1985), S. 101-111 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On Chalcogenolates. 152. Studies on Derivatives of N-Thioformyl Dithiocarbamic Acid. 2. Crystal Structure of Tetra-n-butylammonium N-Thioformyl DithiocarbamateThe title compound [N(nC4H9)4][S2C—NH—CS—H] crystallizes with Z = 2 in the triclinic space group P1 with cell dimensions a = 9.694(2) Å, b = 11.478(3) Å, c = 12.551(6) Å, α = 63.03(3)°, β = 66.42(2)°, γ = 85.60(2)°. The crystal structure has been determined from single crystal X-ray data measured at 20°C and refined to a conventional R of 0.061 for 2249 independent reflections (Rw = 0.042).The structure is built up of dimeric aggregates consisting of 2[N(nC4H9)4]+ cations and 2[S2C—NH—CS—H]- anions. The two anions are linked together by —CS—S…H—N bridges. To make possible a space saving stacking of the dimeric aggregates in the crystal, one methyl group in terminal position of one n-butyl chain in the cation has gauche conformation.
    Notes: Die Titelverbindung [N(nC4H9)4][S2C—NH—CS—H] kristallisiert triklin mit Z = 2 in der Raumgruppe P1; Gitterdimensionen: a = 9,694(2) Å, b = 11,478(3) Å, c = 12,551(6) Å, α = 63,03(3)°, β = 66,42(2)°, γ = 85,60(2)°. Die Kristallstruktur wurde aus 2249 röntgenographischen Einkristalldaten (20°C) mit Hilfe direkter Methoden bestimmt und bis zu einem konventionellen Gütefaktor von R = 0,061 verfeinert (Rw = 0,042).Die Struktur ist aus Dimerenaggregaten, bestehend aus 2[N(nC4H9)4]+-Kationen und 2[S2C—NH—CS—H]--Anionen, aufgebaut. Die zwei Anionen sind über Wasserstoffbrücken —CS—S…H—N miteinander verbunden. Um eine platzsparende Stapelung der Dimerenaggregate im Kristallverband zu ermöglichen, weist die endständige Methylgruppe einer n-Butylkette im Kation gauche-Konformation auf.
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  • 18
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 531 (1985), S. 89-96 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On Chalcogenolates. 163. Reactions of Hydrazine with Carbon Disulfide. 2. Crystal Structure of Dipotassium 1,2-Hydrazine-bis (dithioformate)The title compound K2[S2C—NH—NH—CS2] (1) crystallizes with Z = 4 in the orthorhombic space group Pbna with cell dimensions a = 6.635(1), b = 10.825(2), c = 12.866(2) Å. The crystal structure has been determined from single crystal X-ray data measured at -85 °C and refined to a conventional R of 0.034 for 969 independent reflections (Rw = 0.042).The [S2C—NH—NH—CS2]2- ions are linked together by hydrogen bridges N—H…S. The K+ ions are surrounded by seven sulfur atoms in irregular coordination.
    Notes: Die Titelverbindung K2[S2C—NH—NH—CS2] (1) kristallisiert orthorhombisch mit Z = 4 in der Raumgruppe Pbna mit den Gitterdimensionen a = 6,635(1), b = 10,825(2), c = 12,866(2) Å. Die Kristallstruktur wurde aus bei -85°C gemessenen röntgenographischen Einkristalldaten unter Verwendung von 969 unabhängigen Reflexen bestimmt und bis zu einem Gütefaktor von R = 0,034 verfeinert (Rw = 0,042).Die [S2C—NH—NH—CS2]2--Ionen sind über Wasserstoffbrücken N—H…S miteinander verbunden. Jedes K+-Ion ist von sieben S-Atomen in unregelmäßiger Koordination umgeben.
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  • 19
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 530 (1985), S. 109-116 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On Chalcogenolates. 161. Reaction of 1,2-Ethanedithiolates with Carbon Disulfides. 3. Crystal and Molecular Structure of 1,2-Ethane-bis(methyltrithiocarbonate)The title compound H3CS—CS—SCH2CH2S—CS—SCH3 crystallizes with Z = 2 in the triclinic space group P1 with cell dimensions a = 6.769(1) Å, b = 8,334(2) Å, c = 11.222(1) Å, α = 80.93(1)°, β = 72.01(1)°, γ = 78.58(2)°. The crystal structure has been determined from single crystal X-ray data measured at -40°C and refined to a conventional R of 0.035 for 2004 independent reflections (Rw = 0.042).The structure consists of isolated molecules, which are linked together by weak interaction forces. The S—CS—S groups are plane.
    Notes: Die Titelverbindung H3CS—CS—SCH2CH2S—CS—SCH3 kristallisiert triklin mit Z = 2 in der Raumgruppe P1 mit den Gitterdimensionen a = 6,769(1) Å, b = 8,334(2) Å, c = 11,222(1) Å, α = 80,93(1)°, β = 72,01(1)°, γ = 78,58(2)°. Die Kristallstruktur wurde aus bei -40°C gemessenen rontgenographischen Einkristalldaten unter Verwendung von 2004 unabhängigen Reflexen bestimmt und bis auf einen konventionellen Gütefaktor von R = 0,035 verfeinert (Rw = 0,042).Die Struktur besteht aus isolierten Molekülen, die durch schwache Wechselwirkungskräfte zusammengehalten werden. Die S—CS—S-Gruppen sind planar.
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  • 20
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 532 (1986), S. 99-106 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Crystal and Molecular Structure of Tetra-n-butylammonium N-Methyl-N-Thioformyl Dithiocarbamate[N(n-C4H9)4][S2C—N(CH3)—CS—H] crystallizes in the triclinic space group P1 (Z = 2) with cell dimensions (-45°C) a = 9.185(2) Å, b = 10.263(3) Å, c = 13.301(3) Å, α = 101.73(2)°, ß = 99.59(2)°, γ 100.57(2)°. The crystal structure was solved by means of direct methods and refined to a conventional reliability index R = 0.066 (Rω = 0.070). 5945 independent intensities being measured.
    Notes: [N(n-C4H9)4][S2C—N(CH3)—CS—H] kristallisiert triklin in der Raumgruppe P1, Z = 2; Gitterdimensionen (-45°C): a = 9,185(2) Å, b = 10,263(3) Å, c = 13,301(3) Å, α = 101,73(2)°, ß = 99,59(2)°, γ = 100,57(2)°. Die Kristallstruktur wurde mit Hilfe direkter Methoden gelöst und bis zu einem konventionellen Gütefaktor von R = 0,066 (Rω = 0,070) verfeinert, bei 5945 unabhängigen Meßreflexen. In der Struktur liegen isolierte [N(n-C4H9)4]+-Kationen und [S2C—N(CH3)—CS—H]--Anionen vor.
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