X-ray Structure Analysis Online

The crystal structure of [3-(1,4,7,10-tetraazacyclododecan-1-yl)propan-1-amine = L]zinc(II) bis(perchlorate), [ZnIIL](ClO4)2, was determined by the single-crystal X-ray diffraction method at 93.15 K. The titled complex crystallized in the orthorhombic space group P212121 and Z = 4 with a = 9.09970(10), b = 14.0995(2), c = 14.9908(2)Å, and V = 1923.34(4)Å3. The R1 [I > 2σ(I)] and wR2 (all data) values were 0.0214 and 0.0538, respectively, for all 3079 independent reflections. In the crystal structure, the zinc center is coordinated with the three secondary amines and one tertiary amine of the macrocycle and with the primary amine from the N-propylamino pendant arm, forming a distorted square pyramidal geometry.

Yoshimi ICHIMARU

Masanori IMAI

Haruto FUJIOKA

Yuhzo HIEDA

Tohru KOIKE

Hiromasa KUROSAKI

Koichi KATO

Crystal Structure of [3-(1,4,7,10-Tetraazacyclododecan-1-yl)propan-1-amine]zinc(II) Bis(perchlorate), [ZnIIL](ClO4)2

[3-(1,4,7,10-四氮杂环十二烷-1-基)丙-1-胺]锌(II)双(高氯酸盐)的晶体结构，[ZnIIL](ClO4)2

The structure of 5-methoxyindirubin 3′-oxime was determined by a single-crystal X-ray diffraction method at 93.15 K. The compound was crystallized in a monoclinic system, and was characterized as thus: P21/c, a = 16.0352(4)Å, b = 5.55140(10)Å, c = 17.2061(4)Å, β = 100.324(3)°, Z = 4, and V = 1506.85(6)Å3. The crystal structure was solved by direct methods and refined by full-matrix least-squares on an F2 to final values of R1 = 0.0524 (I > 2σ(I)) and wR2 = 0.1411 (all data). 5-Methoxyindirubin 3′-oxime forms three hydrogen bonds intramolecularly and intermolecularly without intervening solvent molecules.

Niina NAKAMURA

Makoto SANO

Kazuhiko HAYASHI

Shinichi MIYAIRI

Crystal Structure of 5-Methoxyindirubin 3′-Oxime

5-甲氧基靛红3'-肟的晶体结构

A racemic mixture of planar chiral 4-iodo-5-methoxy[2.2]metacylophane (2) was synthesized by the low-temperature directed ortho aryl metalation of 5-methoxy[2.2]metacyclophane (1) and subsequent in situ reaction with iodine. The crystal structure was determined by the single-crystal X-ray diffraction method at 100 K. The compound crystallized in an orthorhombic system and was characterized as: Pca21, a = 13.5690(2), b = 14.2212(2), c = 7.5004(1)Å, Z = 4, V = 1447.33(4)Å3. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F2 to final values of R1 = 0.0281 and wR2 = 0.0733 for all 3021 independent reflections.

Marco BLANGETTI

Donal F. O’SHEA

Crystal Structure of &lt;i&gt;rac&lt;/i&gt;-4-Iodo-5-methoxy[2.2]metacylophane; A Rare Example of a Halogenated Metacyclophane with Planar Chirality

&lt;i&gt;rac&lt;/i&gt;-4-碘-5-甲氧基[2.2]螺环芳烃的晶体结构；平面手性卤代螺环芳烃的罕见实例

The present compound, namely (Z)-4-[4-fluorophenyl]thiosemicarbazide, crystallized in a monoclinic space group, P21/c, with cell parameters a = 12.1056(8)Å, b = 5.5177(4)Å, c = 12.5617(8)Å, β = 90.063(2)°, V = 839.06(10)Å3, and Z = 4. The structure was solved and the data was refined to reach R and wR indices of 0.0946 and 0.1377, respectively. In the crystal, each molecule was linked to the next molecule by two N–H···S intermolecular hydrogen bonds.

Uwaisulqarni M. OSMAN

Sharmili SILVARAJOO

Irshad Ul Haq BHAT

Mohd Hasmizam RAZALI

Mohd Zul Helmi ROZAINI

Thahira Begum S. A. RAVOOF

Crystal Structure of (&lt;i&gt;Z&lt;/i&gt;)-4-[4-Fluorophenyl]thiosemicarbazide&lt;sup&gt;4&lt;/sup&gt;

（Z）-4-[4-氟苯基]缩氨基硫脲的晶体结构

The crystal structure of a benzyltrimethylammonium chloride complex with rac-1,1′-bi-2-naphthol has been determined by an X-ray diffraction technique. It crystallizes in the triclinic space group P-1, with unit-cell parameters of a = 9.9157(1)Å, b = 10.1069(1)Å, c = 13.5253(2)Å, α = 78.6034(5)°, β = 69.6790(5)°, γ = 89.5945(5)°, V = 1243.24(3)Å3, and Z = 2. The crystal packing mode is achieved by means of weak intermolecular interactions, and indicate the relevance of weak H-bonds in molecular phenomena

Emmanuel MARFO-OWUSU

Amber L. THOMPSON

Crystal Structure of a Benzyltrimethylammonium Chloride Complex with &lt;i&gt;rac&lt;/i&gt;-1,1′-Bi-2-naphthol: The Generation of Weak Interactions by the Influence of a Benzyl Group

苯甲基三甲基氯化铵与rac-1,1′-联-2-萘酚的晶体结构：苯甲基对弱相互作用的影响

A mononuclear iron(III) complex, [Fe(dmf )6][PF6]3 [hexakis(dimethylformamide-κO)iron(III) tris(hexafluoridophosphate)], was synthesized, and characterized by a single-crystal X-ray method. The compound crystallized in the triclinic space group P1 and Z = 2 with cell parameters a = 11.9608(3)Å, b = 13.1544(4)Å, c = 13.4260(3)Å, α = 81.340(2)°, β = 81.572(2)°, γ = 65.340(3)°, and V = 1889.61(10)Å3. The R1 [I > 2σ(I)] and wR2 (all data) values were 0.0556 and 0.1515, respectively, for all 19173 independent reflections. The structure of the complex cation can be approximated as the S6 symmetry, but the cations are compressed due to the crystal packing.

Yudai KOKUBUN

Ryusei HOSHIKAWA

Ryoji MITSUHASHI

Hiroshi SAKIYAMA

Crystal Structure of a Mononuclear Iron(III) Complex, Hexakis(dimethylformamide-κ&lt;i&gt;O&lt;/i&gt;)iron(III) Tris(hexafluoridophosphate)

单核铁(III)配合物的晶体结构：六(二甲基甲酰胺-κO)铁(III)三(六氟磷酸盐)

The title compound, [Mn2(Lox)4(H2O)2(μ-tpa)]·2CH3OH·4H2O, [HLox = 4,6-dimethyl-3-(4,4-dimethyl-2-oxazolinyl)-N-(2-hydroxy-l,l-dimethylethyl)salicylamide, H2tpa = terephthalic acid], was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in the triclinic space group P1 with cell parameters a = 11.964(7)Å, b = 13.419(11)Å, c = 15.167(13)Å, α = 82.91(7)°, β = 89.49(6)°, γ = 70.79(5)°, V = 2280(3)Å3, Dcalcd = 1.296 g/cm3, Z = 1. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0514 and 0.1800, respectively, for all 8015 independent reflections. Two manganese(III) units are bridged by terephthalate dianion with a monoatomic coordination mode.

Tatsuru ESAKI

Masayuki KOIKAWA

Tadashi TOKII

Crystal Structure of Binuclear Terephthalato-bridged Manganese(III) Complex with 2-(2′-Hydroxyphenyl)oxazoline Analog

双核对苯二甲酸桥联锰(III)配合物的晶体结构与2-(2′-羟基苯基)噁唑啉类似物

The crystal structure of tris{2-(2-imidazolyl)phenolato}iron(III), which was synthesized by a reaction of Fe(BF4)2·6H2O and 2-(2-imidazolyl)phenolate in methanol, was determined by X-ray crystallography. The compound crystallized in the trigonal space group R-3 and Z = 6 with cell parameters a = 15.830(3)Å, c = 19.973(4)Å, V = 4334.4(18)Å3. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0385 and 0.1005, respectively, for all 2337 independent reflections. The iron atom is coordinated by three 2-(2-imdazolyl)phenolato ligands in a facial N3O3 configuration, where the solvent methanol molecules are hydrogen-bonded to the phenolato-oxygen atoms.

Satoshi HOSOYA

Takayoshi SUZUKI

Masahiro MIKURIYA

High-Spin Iron(III) Complex with 2-(2-Imidazolyl)phenolate

高自旋铁(III)配合物与2-(2-咪唑基)苯酚

The crystal structure of [{m,m-bis(ZnII-cyclen)}3(μ2-CO3)2(H2O)2](ClO4)8·nH2O, m,m-bis(ZnII-cyclen) = 11,14,17,110,51,54,57,510-​octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane dizinc(II) complex, was determined by the single-crystal X-ray diffraction method at 93.15 K. The titled complex crystallized in the monoclinic space group P21/n and Z = 4 with a = 16.2677(1), b = 26.5722(2), c = 30.8348(2)Å, β = 94.2040(10)°, and V = 13293.05(16)Å3. The R1 [I > 2σ(I)] and wR2 (all data) values were 0.0682 and 0.2005, respectively, for all 24139 independent reflections. In the crystal structure, three m,m-bis(ZnII-cyclen) units are linked via two μ2-carbonate ions and form a single strand chain. Crystal water is coordinated to each end of the chain. The respective ZnII center forms a slightly distorted square pyramidal geometry. The hydrogen bond network among the cyclen rings, carbonate ions, crystal waters, and perchlorate ions connects m,m-bis(ZnII-cyclen) units.

Kirara SUGIURA

Chisa HIRATA

Wanchun JIN

Crystal Structure of [{&lt;i&gt;m,m&lt;/i&gt;-bis(Zn&lt;sup&gt;II&lt;/sup&gt;-cyclen)}&lt;sub&gt;3&lt;/sub&gt;(μ&lt;sub&gt;2&lt;/sub&gt;-CO&lt;sub&gt;3&lt;/sub&gt;)&lt;sub&gt;2&lt;/sub&gt;(H&lt;sub&gt;2&lt;/sub&gt;O)&lt;sub&gt;2&lt;/sub&gt;](ClO&lt;sub&gt;4&lt;/sub&gt;)&lt;sub&gt;8&lt;/sub&gt;·&lt;i&gt;n&lt;/i&gt;H&lt;sub&gt;2&lt;/sub&gt;O

[{m,m-双(ZnII-环己烯)}3(μ2-CO3)2(H2O)2](ClO4)8·nH2O的晶体结构

The title polymer compound with chlorobenzene as crystal solvents [Rh2II(4-Me-pf )2(O2CCMe3)2(1,4-dib)]n·n(chlorobenzene) (4-Me-pf− = N,N′-di-p-tolylformamidinate; 1,4-dib = 1,4-diisocyanobenzene) was isolated and the crystal structure was determined by the single-crystal X-ray diffraction method at 150 K. It crystallizes in the triclinc space group P1 with a = 10.6491(8)Å, b = 12.5796(11)Å, c = 19.3388(15)Å, α = 85.901(5)°, β = 77.146(5)°, γ = 85.792(5)°, V = 2514.9(4) Å3, Dx = 1.446 g/cm3, and Z = 2. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0555 and 0.1563, respectively, for all 8757 independent reflections. Two RhII atoms are bridged by two 4-Me-pf− and two pivalato ligands in the cis-(2:2) fashion. The axial sites of the dinuclear core are occupied by 1,4-dib ligands with distances of Rh–Cax = 2.129(6) and 2.129(7)Å to form a chain structure with alternated arrangement of cis-[Rh2II(4-Me-pf )2(O2CCMe3)2] and 1,4-dib. The Rh–Rh distance is 2.4845(6)Å, which is longer than the observed range for those of the lantern-type dirhodium(II) complexes with formamidinato and pivalato bridges and axially coordinating nitorgen atoms, reflecting the strong donor properies of the 1,4-dib carbon atoms. The diffuse reflectance spectra and adsorption properties for N2 were also examined.

Makoto HANDA

Satoshi NISHIURA

Natsumi YANO

Hidekazu TANAKA

Yusuke KATAOKA

A Polymer Chain Compound of [Rh&lt;sub&gt;2&lt;/sub&gt;&lt;sup&gt;II&lt;/sup&gt;(4-Me-pf )&lt;sub&gt;2&lt;/sub&gt;(O&lt;sub&gt;2&lt;/sub&gt;CCMe&lt;sub&gt;3&lt;/sub&gt;)&lt;sub&gt;2&lt;/sub&gt;(1,4-dib)]&lt;sub&gt;n&lt;/sub&gt; (4-Me-pf&lt;sup&gt;−&lt;/sup&gt; = &lt;i&gt;N,N&lt;/i&gt;′-Di-&lt;i&gt;p&lt;/i&gt;-tolylformamidinate Anion; 1,4-dib = 1,4-Diisocyanobenzene)

[Rh2II(4-Me-pf)2(O2CCMe3)2(1,4-dib)]n 聚合物链化合物（4-Me-pf− = N,N′-二-p-甲苯基甲酰胺阴离子；1,4-dib = 1,4-二异氰基苯）

Abbreviation
Journal Impact	0.14
Quartiles(Global)	CRYSTALLOGRAPHY(Q4)

Publication Information	Publisher: Japan Society for Analytical Chemistry，Publishing cycle: ，Journal Type: journal，Open Access Journals: No
Basic data	Year of publication: 2009，Proportion of original research papers: 100.00%，Self Citation Rate:0.00%， Gold OA Rate: 20.45%

X-ray Structure Analysis Online

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Crystal Structure of [3-(1,4,7,10-Tetraazacyclododecan-1-yl)propan-1-amine]zinc(II) Bis(perchlorate), [Zn^IIL](ClO₄)₂

Crystal Structure of 5-Methoxyindirubin 3′-Oxime

Crystal Structure of <i>rac</i>-4-Iodo-5-methoxy[2.2]metacylophane; A Rare Example of a Halogenated Metacyclophane with Planar Chirality

Crystal Structure of (<i>Z</i>)-4-[4-Fluorophenyl]thiosemicarbazide<sup>4</sup>

Crystal Structure of a Benzyltrimethylammonium Chloride Complex with <i>rac</i>-1,1′-Bi-2-naphthol: The Generation of Weak Interactions by the Influence of a Benzyl Group

Crystal Structure of a Mononuclear Iron(III) Complex, Hexakis(dimethylformamide-κ<i>O</i>)iron(III) Tris(hexafluoridophosphate)

Crystal Structure of Binuclear Terephthalato-bridged Manganese(III) Complex with 2-(2′-Hydroxyphenyl)oxazoline Analog

High-Spin Iron(III) Complex with 2-(2-Imidazolyl)phenolate

Crystal Structure of [{<i>m,m</i>-bis(Zn<sup>II</sup>-cyclen)}<sub>3</sub>(μ<sub>2</sub>-CO<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>](ClO<sub>4</sub>)<sub>8</sub>·<i>n</i>H<sub>2</sub>O

A Polymer Chain Compound of [Rh<sub>2</sub><sup>II</sup>(4-Me-pf )<sub>2</sub>(O<sub>2</sub>CCMe<sub>3</sub>)<sub>2</sub>(1,4-dib)]<sub>n</sub> (4-Me-pf<sup>−</sup> = <i>N,N</i>′-Di-<i>p</i>-tolylformamidinate Anion; 1,4-dib = 1,4-Diisocyanobenzene)

ISSN	1883-3578
h-index	9