X-ray Structure Analysis Online最新文献

{"title":"Unprecedented Formation of Potassium Borate Based Carbonate from Chloral Hydrate, Potassium Carbonate and Boric Acid","authors":"M. Tombul, Elmas Türkmenoglu, O. Şahin","doi":"10.2116/xraystruct.37.45","DOIUrl":"https://doi.org/10.2116/xraystruct.37.45","url":null,"abstract":"Sinop, Türkiye The structure of the reaction product of boric acid, chloral hydrate, and potassium carbonate in H 2 O, potassium bis(carbonato)borate hydrate K[B(CO 2","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2021-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46841139","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal Structure of Tetrapentylammonium Chloride Complex with Rac-1,1′-Bi-2-naphthol: The Effect of Solvent and Counter Anion on Biradial Conformation of the Surfactant Molecule","authors":"E. Marfo-owusu, A. Thompson","doi":"10.2116/xraystruct.37.39","DOIUrl":"https://doi.org/10.2116/xraystruct.37.39","url":null,"abstract":"Supramolecular chemistry applies molecular-recognition processes, rest heavily on understanding the recognition properties of the functional groups involved in these interactions, i.e. on molecular information stored in the interacting species. It aims to construct highly complex, functional chemical systems from components held together by intermolecular interactions. Various supramolecular interactions are used as tools in crystal engineering in order to develop novel functional materials.1 Recently, in addition to the well developed molecular interactions and conformational studies on N-alkylammonium halides (mono, di, tri-alkylammonium halides) complexes with nonplanar aromatic molecules in respect to knowing the inter, and intra-molecular interactions and preferred conformation exhibited by both the non-planar aromatic molecule and the alkyl chain, much interest has been shown by various researchers due to its useful applications in separation science and crystal engineering.2,3 Our group of researchers have been recently involved in examining the preferential conformation of non-planar aromatic molecules and the alkyl chain in crystal complexes involving tetra-n-alkylammonium halides (n = 4, 5,···) with non-planar aromatic molecules in order to exploit probable conformational adjustments that could occur due to effect of increases in chain length and changes of the counter anion in the hydrogen-bonded binaphthol cavity environ. It has been shown by our group that crystal complexes of tetrabutylammonium halides (R4N·X, where R = butyl, and X = Br or Cl, hereafter TBAB, or TBAC, respectively) with rac-1,1′-bi-2-naphthol (hereafter, BNP) are isomorphous.4 In both crystal structures (TBAB/BNP and TBAC/BNP) the alkyl chains exhibit conformational and orientational disordered structures, while in a tetrapentylammonium bromide (R = pentyl, hereafter, TPAB) complex with BNP (hereafter, TPAB/BNP), the biradial conformation is exhibited by the alkyl chains.5 Per this knowledge we were challenged to investigate how changes of the counter anion from Br– to Cl– as well as an increase in the alkyl chain from n = 4 to 5 can also generate any conformational adjustments in both the binaphthol molecules or the alkyl chains. Interestingly, in an attempt to obtain a TPAC/BNP crystal complex, the crystal complex entrapped solvent (acetonitrile) molecules, as per revealed by X-ray crystallography studies. Thus, in this manuscript we discuss the findings revealed in its crystal structure studies. Crystals suitable for X-ray diffraction studies were obtained within seven days by the slow evaporation of a 2021 © The Japan Society for Analytical Chemistry","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2021-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47287088","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal Structure of [Dihydrido-hexaphenylcarbodiphosphoran][chlorid][trichlorido-triphenylphosphino-platinat]","authors":"W. Petz, B. Neumüller","doi":"10.2116/XRAYSTRUCT.37.33","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.37.33","url":null,"abstract":"refinement for all carbon atoms. The cell contains a heavily disordered THF molecule: therefore, the SQUEEZE function of PLATON 4 was applied. The SQUEEZE procedure omitted about 15.0 e/pm 3 ·10 –6 . These remaining electron densities could be assembled to two strongly disordered THF molecules: one of them with an occupation parameter of 1.0 and the other with an occupation parameter of The crystal structure of the salt [dihydrido-hexaphenylcarbodiphosphoran][chlorid][trichlorido-triphenylphosphino-platinat] was determined by X-ray crystallography. The title compound crystallizes in the monoclinic space group with the cell parameters a = 38.858(3)Å, b = 10.851(1)Å, c = 27.666(2)Å, α = 90 ° , β = 109.07(1) ° , γ = 90 ° , V = 11025(2)Å 3 , Z = 8. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F 2 to final values of R 1 = 0.0771 and wR 2 (all data)= 0.1732, T = 100(2)K.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2021-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48639191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation and Crystal Structure of Tetrakis(μ-2,4,5-trimethoxybenzoato-κO:κO′)bis[(methanol)copper(II)]-N,N-dimethylformamide (1/2) in Relation to Adsorption Property for N2","authors":"M. Mikuriya, C. Yamakawa, Kensuke Tanabe, Raigo Nukita, D. Yoshioka, R. Mitsuhashi, Hidekazu Tanaka, M. Handa, M. Tsuboi","doi":"10.2116/XRAYSTRUCT.37.35","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.37.35","url":null,"abstract":"Dinuclear metal carboxylates have attracted considerable attention due to their potential application for functional materials, such as gas storage,1–4 as well as their unique structures and magnetic properties.5–12 Recently, we reported on the dinuclear copper(II) carboxylate obtained from the reaction of 3,4,5-trimethoxybenzoic acid (H345-tmbz) and copper(II) salt, [Cu2(345-tmbz)4(CH3OH)2]·2dmf (1), which has a syn-synbridged dinuclear cluster with a Cu–Cu distance of 2.6190(6)Å.11 We also synthesized the dinuclear cluster [Cu2(tbng)4(dmf )2] (tbng– = 3,4,5-tri-O-benzylgallate) (2).12 Unfortunately, these complexes did not show a good adsorption property for N2. In this work, we have employed 2,4,5-trimethoxybenzoic acid (H245-tmbz) as a carboxylic acid by changing the methoxysubstituent position to obtain a new copper(II) carboxylate, and determined the crystal structure of the isolated complex (3), which has the molecular structure as shown in Fig. 1. Copper(II) carboxylate (3) was prepared by a method described in the literature.11,12 A portion of 2,4,5-trimethoxybenzoic acid (0.5020 g, 2.366 mmol) was added to a 5 cm3 of a 0.10 M sodium hydroxide solution. The solution was neutralized by the addition of nitric acid with a phenolphthalein indicator. To this solution, a 5 cm3 of aqueous solution of copper(II) nitrate trihydrate (0.3046 g, 1.261 mmol) was added with stirring to give a pale-blue precipitate. The precipitate was collected and dried under a vacuum. Yield, 0.5008 g (82.4%). Anal. Found: C, 45.42; H, 4.46%. Calcd for C40H54Cu2O25 ([Cu2(245-tmbz)4(H2O)2]·3H2O): C, 45.24; H, 5.12%. IR (KBr, cm–1): 3581 (νOH). 3511 (νOH), 3445 (νOH), 2946 (νasCH3), 2835 (νsCH3), 1606 (νasCOO), 1462 (νsCOO). Diffuse reflectance spectra: λmax 234, 320br, 370sh, 710br nm. Adsorption measurement for N2 was performed by a MicrotracBEL BELSORP-mini II. Prior to an adsorption, the sample was evacuated at 298 K for 2 h. X-ray quality crystals were grown by recrystallization from dmf-methanol. X-ray diffraction data for the crystal were collected at 90 K on a Bruker CCD X-ray diffractometer (SMART APEX) using graphite-monochromated Mo-Kα 2021 © The Japan Society for Analytical Chemistry","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2021-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42571157","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal Structure of an Iodido-bridged Dinuclear Copper(I) Complex with 3,6-Bis(dimethylamino)acridine","authors":"Misaki Ohkita, Ayako Fujiwara, T. Nishiyama, M. Maekawa, T. Kuroda–Sowa, T. Okubo","doi":"10.2116/XRAYSTRUCT.37.29","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.37.29","url":null,"abstract":"Polynuclear metal complexes have attracted increasing attention in the field of materials science because of their characteristic chemical and/or physical properties based on the assembled structures of metal ions and organic ligands.1,2 In particular, polynuclear copper(I)-halide complexes have the advantage of creating unique functionalities based on the versatile crystal structures derived from the structural diversity in the coordination geometry of the d10 copper(I) ion. For example, it is known that many polynuclear copper(I) complexes show photoluminescent properties from various excited states, such as a triplet metal-toligand charge transfer excited state (3MLCT), triplet clustercentered excited state (3CC), and thermally activated delayedfluorescence (TADF).3–5 We also demonstrated that polynuclear copper(I) halide complexes exhibit semiconducting behavior based on the formation of energy bands. Therefore, it is important to create polynuclear copper(I)-halide complexes to develop the field of materials chemistry.6 Here, we employed an acridine derivative, bis(dimethylamino)acridine (dma-acd), to construct polynuclear copper(I) halide complexes. We found that the reaction of copper(I) iodide with dma-acd ligands produced a dinuclear copper(I)-iodide complex, as shown in Fig. 1. In this paper, we report on the crystal structure of this complex. A dinuclear copper(I) complex [Cu2I2(dma-acd)2] (1) was 2021 © The Japan Society for Analytical Chemistry","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2021-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43594079","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal Structure of Tetrabutylammonium Chloride Complex with Rac-1,1′-bi-2-naphthol: The Inclusion of Surfactant Molecules by Hydrogen Bonded Binaphthol Molecules","authors":"E. Marfo-owusu, A. Thompson","doi":"10.2116/XRAYSTRUCT.37.27","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.37.27","url":null,"abstract":"cation. The patterns of the H-bond network as well as the conformation of the tetra- n -alkyl-ammonium cations contribute to the formation of voids that entrap either BNP or a tetra- n -alkylammonium cation. 2 Per the knowledge revealed in this study, we were motivated to investigate TBAC and TPAC complexes with BNP; (hereafter, TBAC/BNP, TPAC/BNP) in order to understand the effect of changing the halide anions on the packing modes as well as the H-bond network, and to compare with those in TBAB/BNP and TPAB/BNP. After several attempts to obtain these complexes, we were successful to obtain only a TBAC/BNP complex. The tetrabutylammonium chloride complex with rac -1,1 ′ -bi-2-naphthol crystallizes in monoclinic space group P 2 1 / n , with unit-cell parameters of; a = 10.4941(1)Å, b = 26.3302(3)Å, c = 11.5290(1)Å, α = 90 ° , β = 100.0154(5) ° , γ = 90 ° , V = 3137.05(5)Å 3 , and Z = 4. The packing mode, hydrogen bonding network, and crystal data suggest that the crystal structure is isomorphous with the reported structure of a tetrabutylammonium bromide complex with rac -1,1 ′ -bi-2-naphthol. 2","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2021-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42877083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal Structure of 1,3-Diphenyl-2,3-dihydro-1H-benzo[d][1,3]dithiole-1,3-dinium Bis(tetrafluoroborate) Acetonitrile Solvate","authors":"T. Fujii, Megumi Kuribayashi, K. Kubo","doi":"10.2116/XRAYSTRUCT.37.21","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.37.21","url":null,"abstract":"Carbones (CL2) named by Frenking et al. have two electron lone pairs with σ and π symmetry at the divalent carbon(0) atom, which distinguishes them from carbenes, which have only one σ lone pair orbital.1 Therefore, they have been increasingly investigated in a field of extensive theoretical and experimental studies.2 The first member of this family was hexaphenylcarbodiphoshorane [C(PPh3)], reported in 1961.3 Recently, we extended the carbone chemistry toward the sulfur-stabilized carbones and revealed their carbone character by using the diauratedand proton-aurated complexes.4 However, there have been no reports of cyclic type compounds among the carbones with an S–C–S skeleton, and have also not been experimentally demonstrated their four-electron-donating ability, such as in dicationic salts. In this paper, we describes the X-ray structure of diprotonated 5-menbered cyclic carbone, 1,3-diphenyl-2,3dihydro-1H-benzo[d][1,3]dithiole-1,3-dinium. The title compound 1 (Fig. 1) was synthesized in 28% yield by the reaction of 1,2-bis(phenylthio)benzene with diiodomethane in the presence of AgBF4 in acetonitrile at reflux conditions. The spectral data of 1 are as follows: mp 122 – 125°C (decomp.), 1H NMR (CD3CN) δ 6.01 (s, 2H), 7.76 – 7.83 (m, 8H), 7.93 – 7.96 (m, 2H), 8.20 – 8.23 (m, 2H), 8.24 – 8.28 (m, 2H).13 C NMR (CD3CN) δ 60.3, 123.4, 130.1, 132.9, 133.07, 133.11, 137.95, 138.7. 19F NMR (CD3CN)δ –151.3. Single crystals of 1 were grown in acetonitrile/diethyl ether at room temperature. Data collection and refinement parameters are listed in Table 1. The H atoms were positioned with the idealized geometry, and were refined to be isotropic (Uiso(H) = 1.2Ueq(C)) using a riding model with C–H = 0.95 Å for aromatic H atoms, C–H = 0.99 Å for methylene H atoms and C–H = 2021 © The Japan Society for Analytical Chemistry","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2021-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43980416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and Crystal Structure of Bis[2-(2-imidazolinyl)-6-methoxyphenolato]zinc(II)","authors":"R. Mitsuhashi","doi":"10.2116/XRAYSTRUCT.37.25","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.37.25","url":null,"abstract":"High-spin octahedral or pseudo-tetrahedral cobalt(II) complexes have been attracting much attentions because they are potential candidates for single-ion magnets (SIMs).1–4 Although many SIMs with a first-row transition-metal have been reported,5 most of them do not exhibits a slow magnetic relaxation behavior in the absence of an external field due to fast relaxation via quantum tunneling. To prepare a zero-field SIM, not only a strong magnetic anisotropy, but also the molecular alignment of SIMs in the crystal, is important. Recently, zero-field SIM behavior in pseudo-tetrahedral cobalt(II) complexes with 2-(2-imidazolinyl)-6-methoxyphenolate (Hmimn–) was reported.4 It was suggested that hydrogen-bonded chain networks of [Co(Hmimn)2] play a crucial role for slow magnetic relaxation in the absence of an external field. To elucidate the correlation between intermolecular magnetic coupling and quantum tunneling of magnetization, partial substitution of a paramagnetic ion by a diamagnetic ion in the crystal is an effective method. For such magnetic dilution experiments, it is important to prepare a diamagnetic analogue which is isomorphic to the SIM. In this study, an isomorphic Zn complex analogue of [Co(Hmimn)2]·CH3OH, [Zn(Hmimn)2]·CH3OH, was prepared and crystallographically characterized (Fig. 1). The ligand precursor 2-(2-imidazolinyl)-6-methoxyphenol (H2mimn) was synthesized according to a previously reported procedure.4 The title compound was obtained as colorless crystals from a reaction of ZnCl2 (13.6 mg, 0.10 mmol), H2mimn (38.4 mg, 0.20 mmol) and triethylamine (30 μL) in 10 mL methanol. Yield: 38.9 mg (81%). The crystal data are included in Table 1. X-ray crystallographic data were collected on a Rigaku HyPix AFC diffractometer at 100(2)K. The integrated and scaled data were empirically 2021 © The Japan Society for Analytical Chemistry","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2021-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44242154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Crystal Structure of an Inclusion Complex of Benzyltrimethylammonium Bromide with (R)-(+)-1,1′-binaphthalene-2,2′-diol","authors":"E. Marfo-owusu, A. Thompson","doi":"10.2116/XRAYSTRUCT.37.19","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.37.19","url":null,"abstract":"The donor-acceptor interactions in a complex have attracted attention from the viewpoint of their effect on its novel functional molecular properties.1 The donor-acceptor interactions have also attracted considerable attention in the field of supramolecular chemistry as intermolecular forces can construct and control supramolecular structure.2 One of our group’s aims is to assemble supramolecular solid materials where directionality, and the possibility of controlling the strength of the interactions, are influenced by the arrangement of nonplanar organic molecules (typically, racemic and chiral molecules) with functional groups that can interact with groups in an arylammonium salt through strong and weak H-bonds, as well as other noncovalent interactions, since such studies have not been well considered as per revealed by our search of Cambridge Structure Database version 5.34 2013, and may also contribute to knowledge in separation science and crystal engineering. Recently, we have reported the formation of crystal complex involving rac-1,1′-binaphthalene-2,2′-diol (hereafter, BNP) with benzyltrimethylammonium chloride (hereafter, BTMAC) in which the phenyl group in the arylammonium salt controlled the directionality of the methyl groups to generating weak H-bonds that played relevant roles in crystal complexation, stabilizing the crystal structure, as well as enhancing the molecular recognition phenomenon in the supramolecular structure. Thus, we found it prudent to investigate the structure of the benzyltrimethylammonium bromide (hereafter, BTMAB) complex with (R)-(+)-1,1′binaphthalene-2,2′-diol (hereafter, RBNP) in order to know the effect of changing from the chloride (Cl–) to bromide (Br–) in the arylammonium salt, as well as altering from racemic to (R) form of (+)-1,1′-binaphthalene-2,2′-diol on such a supramolecular system with respect to knowing the packing structure, and interactions in the molecular recognition phenomenon that may exist in the BTMAB/RBNP complex. Gratifyingly, we have solved the crystal structure, analyzed and discussed herein. Single crystals of the BTMAB/RBNP complex were obtained from a solvent mixture of a warmed acetone/ethylacetate (20 mL) mixture in which BTMAB (0.23 g, 1 mmol), and RBNP (0.29 g, 1 mmol) were dissolved, and allowed to evaporate slowly at room temperature, and characterized through X-ray diffraction at 150 K. Crystal data and data collection details are listed in Table 1. Data collection and cell refinement were carried out using DENZO-SMN. Structure solution was carried out with direct methods using the programs SIR 92 within the CRYSTALS software suite, and refined by full-matrix least-squares methods based on F2. The H atoms were included 2021 © The Japan Society for Analytical Chemistry","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2021-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46208507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Orthorhombic Polymorphism of 4-(2-Phenyldiazenyl)-2-[(phenylimino)methyl]phenol","authors":"Shintaro Suda, Yuika Onami, T. Haraguchi, T. Akitsu","doi":"10.2116/XRAYSTRUCT.37.17","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.37.17","url":null,"abstract":"The crystal structure of the title compound, 4-(2-phenyldiazenyl)-2-[(phenylimino)methyl]phenol, was determined to be an orthorhombic system, P na2 1 , with cell parameters a = 18.351(4)Å, b = 17.574(4)Å, c = 4.5721(9)Å, V = 1474.5(5)Å 3 , Z = 4, at 173 K. It was a polymorphism of the previously reported monoclinic system measured at 293 K. This orthorhombic molecule took a more planar shape than the monoclinic one, and did not exhibit intramolecular hydrogen bonds in the crystal.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2021-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49519310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}