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Synthesis and crystal structure of (Z)-4-((1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, C19H14FN5O (Z)-4-((1-(3-氟苯基)-1H-1,2,3-三唑-4-基)亚甲基)-5-甲基-2-苯基-2,4-二氢-3H-吡唑-3-酮，C19H14FN5O 的合成及晶体结构
Zeitschrift für Kristallographie - New Crystal Structures
Pub Date : 2024-07-25 DOI: 10.1515/ncrs-2024-0213
I. Konovalova, Anna O. Geleverya, Anton P. Semenets, Sergiy M. Kovalenko, G. Reiss
C19H14FN5O, monoclinic, P21/c (no. 14), a = 7.2944(3) Å, b = 12.2032(5) Å, c = 18.1070(7) Å, β = 95.807(4)°, V = 1603.52(11) Å3, Z = 4, R gt(F) = 0.0451, wR ref = 0.1217, T = 100(2) K.
C19H14FN5O，单斜，P21/c（编号 14），a = 7.2944(3)埃，b = 12.2032(5)埃，c = 18.1070(7)埃，β = 95.807(4)°，V = 1603.52(11)埃3，Z = 4，R gt(F)= 0.0451，wR ref = 0.1217，T = 100(2) K。
{"title":"Synthesis and crystal structure of (Z)-4-((1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, C19H14FN5O","authors":"I. Konovalova, Anna O. Geleverya, Anton P. Semenets, Sergiy M. Kovalenko, G. Reiss","doi":"10.1515/ncrs-2024-0213","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0213","url":null,"abstract":"\u0000 C19H14FN5O, monoclinic, P21/c (no. 14), a = 7.2944(3) Å, b = 12.2032(5) Å, c = 18.1070(7) Å, β = 95.807(4)°, V = 1603.52(11) Å3, Z = 4, R\u0000 gt(F) = 0.0451, wR\u0000 ref = 0.1217, T = 100(2) K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"30 14","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141806373","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}
引用次数: 0
The crystal structure of the coordination compound catena-poly[(18-crown-6-ether-κ 6 O 6)(4,5-dinitroimidazolato-κ 1 O)potassium(I)] 配位化合物 catena-poly[(18-crown-6-ether-κ 6 O 6)(4,5-二硝基咪唑-κ 1 O)钾(I)]的晶体结构
Zeitschrift für Kristallographie - New Crystal Structures
Pub Date : 2024-07-25 DOI: 10.1515/ncrs-2024-0216
Song Le, Liu Lulu, Jinfeng He, He Dan
C15H25KN4O10, monoclinic, P21 (no. 4), a = 8.3669(3) Å, b = 13.6610(4) Å, c = 9.6179(3) Å, β = 104.578(1)°, V = 1063.94(6) Å3, Z = 2, Rgt (F) = 0.0391, wRref (F 2) = 0.0863, T = 150 K.
C15H25KN4O10，单斜，P21（第 4 号），a = 8.3669(3)埃，b = 13.6610(4)埃，c = 9.6179(3)埃，β = 104.578(1)°，V = 1063.94(6)埃3，Z = 2，Rgt (F) = 0.0391，wRref (F 2) = 0.0863，T = 150 K。
{"title":"The crystal structure of the coordination compound catena-poly[(18-crown-6-ether-κ\u0000 6\u0000 O\u0000 6)(4,5-dinitroimidazolato-κ\u0000 1\u0000 O)potassium(I)]","authors":"Song Le, Liu Lulu, Jinfeng He, He Dan","doi":"10.1515/ncrs-2024-0216","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0216","url":null,"abstract":"\u0000 C15H25KN4O10, monoclinic, P21 (no. 4), a = 8.3669(3) Å, b = 13.6610(4) Å, c = 9.6179(3) Å, β = 104.578(1)°, V = 1063.94(6) Å3, Z = 2, Rgt\u0000 (F) = 0.0391, wRref\u0000 (F\u0000 2) = 0.0863, T = 150 K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"12 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141803268","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}
引用次数: 0
Crystal structure of (S)-1-phenylpropan-1-aminium (S)-(1-phenylpropyl)carbamate C19H26N2O2 (S)-(1-苯基丙基)氨基甲酸酯 C19H26N2O2 的晶体结构
Zeitschrift für Kristallographie - New Crystal Structures
Pub Date : 2024-07-24 DOI: 10.1515/ncrs-2024-0252
Qiong-Feng Jiang, Guangchuan Ou
C19H26N2O2, orthorhombic, P212121 (no. 19), a = 5.254(2) Å, b = 12.172(6) Å, c = 29.088(13) Å, V = 1860.2(14) Å3, Z = 4, R gt (F) = 0.0509, wR ref (F 2) = 0.1345, T = 173 K.
C19H26N2O2，正交，P212121（编号 19），a = 5.254(2)埃，b = 12.172(6)埃，c = 29.088(13)埃，V = 1860.2(14) 埃3，Z = 4，R gt (F) = 0.0509，wR ref (F 2) = 0.1345，T = 173 K。
{"title":"Crystal structure of (S)-1-phenylpropan-1-aminium (S)-(1-phenylpropyl)carbamate C19H26N2O2","authors":"Qiong-Feng Jiang, Guangchuan Ou","doi":"10.1515/ncrs-2024-0252","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0252","url":null,"abstract":"\u0000 <jats:p>C<jats:sub>19</jats:sub>H<jats:sub>26</jats:sub>N<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>, orthorhombic, <jats:italic>P</jats:italic>2<jats:sub>1</jats:sub>2<jats:sub>1</jats:sub>2<jats:sub>1</jats:sub> (no. 19), <jats:italic>a</jats:italic> = 5.254(2) Å, <jats:italic>b</jats:italic> = 12.172(6) Å, <jats:italic>c</jats:italic> = 29.088(13) Å, <jats:italic>V</jats:italic> = 1860.2(14) Å<jats:sup>3</jats:sup>, <jats:italic>Z</jats:italic> = 4, <jats:italic>R</jats:italic>\u0000 <jats:sub>\u0000 <jats:italic>gt</jats:italic>\u0000 </jats:sub>(<jats:italic>F</jats:italic>) = 0.0509, <jats:italic>wR</jats:italic>\u0000 <jats:sub>\u0000 <jats:italic>ref</jats:italic>\u0000 </jats:sub>(<jats:italic>F</jats:italic>\u0000 <jats:sup>2</jats:sup>) = 0.1345, T = 173 K.</jats:p>","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"6 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141807647","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}
引用次数: 0
Crystal structure of 7-(diethylamino)-3-(trifluoroacetyl)-2H-chromen-2-one, C15H14F3NO3 7-(二乙基氨基)-3-(三氟乙酰基)-2H-苯并吡喃-2-酮（C15H14F3NO3）的晶体结构
Zeitschrift für Kristallographie - New Crystal Structures
Pub Date : 2024-07-24 DOI: 10.1515/ncrs-2024-0217
Huanxin Wang, Yingfan Liu
C15H14F3NO3, monoclinic, P21 (no. 4), a = 5.0637(5) Å, b = 19.1061(19) Å, c = 7.4883(6) Å, β = 95.666(9)°, V = 720.94(12) Å3, Z = 2, Rgt (F) = 0.0463, wRref (F 2) = 0.1036, T = 294.8(6) K.
C15H14F3NO3，单斜，P21（4 号），a = 5.0637(5)埃，b = 19.1061(19)埃，c = 7.4883(6)埃，β = 95.666(9)°，V = 720.94(12)埃3，Z = 2，Rgt (F) = 0.0463，wRref (F 2) = 0.1036，T = 294.8(6) K。
{"title":"Crystal structure of 7-(diethylamino)-3-(trifluoroacetyl)-2H-chromen-2-one, C15H14F3NO3","authors":"Huanxin Wang, Yingfan Liu","doi":"10.1515/ncrs-2024-0217","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0217","url":null,"abstract":"\u0000 C15H14F3NO3, monoclinic, P21 (no. 4), a = 5.0637(5) Å, b = 19.1061(19) Å, c = 7.4883(6) Å, β = 95.666(9)°, V = 720.94(12) Å3, Z = 2, Rgt\u0000 (F) = 0.0463, wRref\u0000 (F\u0000 2) = 0.1036, T = 294.8(6) K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"73 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141807880","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}
引用次数: 0
Crystal stucture of 3-benzamido-N-(2-bromo-4-(perfluoropropan-2-yl)-6-(trifluoromethyl)phenyl)-2-fluorobenzamide 3-苯甲酰胺基-N-(2-溴-4-(全氟丙-2-基)-6-(三氟甲基)苯基)-2-氟苯甲酰胺的晶体结构
Zeitschrift für Kristallographie - New Crystal Structures
Pub Date : 2024-07-23 DOI: 10.1515/ncrs-2024-0174
Haiyan Zhang, Kai Fu
C24H12BrF11N2O2, M = 648.26 g/mol, triclinic, P1̄ (no. 2), a = 8.9871(10) Å, b = 9.6519(10) Å, c = 13.8769(13) Å, α = 88.141(3)°, β = 83.049(3)°, γ = 87.821(4)°, V = 1193.5(2) Å3, Z = 2, R gt (F) = 0.0604, wR ref (F 2) = 0.1624, T = 170 K.
C24H12BrF11N2O2, M = 648.26 g/mol, 三菱形, P1̄ (no. 2), a = 8.9871(10) Å, b = 9.6519(10) Å, c = 13.8769(13) Å, α = 88.141(3)°, β = 83.049(3)°, γ = 87.821(4)°, V = 1193.5(2) Å3, Z = 2, R gt (F) = 0.0604, wR ref (F 2) = 0.1624, T = 170 K.
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引用次数: 0
Editorial 2024 – New developments and changes of Zeitschrift für Kristallographie – New Crystal Structures 编辑 2024 - Zeitschrift für Kristallographie 的新发展和变化 - 新晶体结构
Zeitschrift für Kristallographie - New Crystal Structures
Pub Date : 2024-07-23 DOI: 10.1515/ncrs-2024-0241
Guido J. Reiss
{"title":"Editorial 2024 – New developments and changes of Zeitschrift für Kristallographie – New Crystal Structures","authors":"Guido J. Reiss","doi":"10.1515/ncrs-2024-0241","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0241","url":null,"abstract":"","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"107 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141812166","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}
引用次数: 0
Crystal structure of bis(benzyltrimethylammonium) tetrathiotungstate(VI), {(C6H5CH2)(CH3)3N}2[WS4] 双(苄基三甲基铵)四硫代钨酸盐(VI)，{(C6H5CH2)(CH3)3N}2[WS4]的晶体结构
Zeitschrift für Kristallographie - New Crystal Structures
Pub Date : 2024-07-23 DOI: 10.1515/ncrs-2024-0228
Kang-Woo Kim, Sunghyeon Kim
C20H32N2S4W, monoclinic, C2/c (no. 15), a = 37.4033(15) Å, b = 17.2676(7) Å, c = 16.4860(6) Å, β = 109.319(1)°, V = 10,048.2(7) Å3, Z = 16, R gt(F) = 0.0422, wR ref(F 2) = 0.0930, T = 223 K.
C20H32N2S4W，单斜，C2/c（编号 15），a = 37.4033(15)埃，b = 17.2676(7)埃，c = 16.4860(6)埃，β = 109.319(1)°，V = 10,048.2(7) Å3，Z = 16，R gt(F) = 0.0422，wR ref(F 2) = 0.0930，T = 223 K。
{"title":"Crystal structure of bis(benzyltrimethylammonium) tetrathiotungstate(VI), {(C6H5CH2)(CH3)3N}2[WS4]","authors":"Kang-Woo Kim, Sunghyeon Kim","doi":"10.1515/ncrs-2024-0228","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0228","url":null,"abstract":"\u0000 C20H32N2S4W, monoclinic, C2/c (no. 15), a = 37.4033(15) Å, b = 17.2676(7) Å, c = 16.4860(6) Å, β = 109.319(1)°, V = 10,048.2(7) Å3, Z = 16, R\u0000 gt(F) = 0.0422, wR\u0000 ref(F\u0000 2) = 0.0930, T = 223 K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"8 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141810777","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}
引用次数: 0
Crystal structure of S-(4-carboxybutyl)-l-cysteine S-(4-羧基丁基)-l-半胱氨酸的晶体结构
Zeitschrift für Kristallographie - New Crystal Structures
Pub Date : 2024-07-23 DOI: 10.1515/ncrs-2024-0237
J. Waters, V. Mossine, Steven P. Kelley, Thomas P. Mawhinney
C8H15NO4S, orthorhombic, P212121 (no. 19), a = 5.0215 (3) Å, b = 7.0392 (5) Å, c = 28.0593 (19) Å, V = 991.82 (11) Å3, Z = 4, R gt(F) = 0.0462, wR ref(F 2) = 0.0899, T = 100 K.
C8H15NO4S，正交，P212121（编号 19），a = 5.0215 (3) Å，b = 7.0392 (5) Å，c = 28.0593 (19) Å，V = 991.82 (11) Å3，Z = 4，R gt(F) = 0.0462，wR ref(F 2) = 0.0899，T = 100 K。
{"title":"Crystal structure of S-(4-carboxybutyl)-\u0000l\u0000-cysteine","authors":"J. Waters, V. Mossine, Steven P. Kelley, Thomas P. Mawhinney","doi":"10.1515/ncrs-2024-0237","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0237","url":null,"abstract":"\u0000 C8H15NO4S, orthorhombic, P212121 (no. 19), a = 5.0215 (3) Å, b = 7.0392 (5) Å, c = 28.0593 (19) Å, V = 991.82 (11) Å3, Z = 4, R\u0000 gt(F) = 0.0462, wR\u0000 ref(F\u0000 2) = 0.0899, T = 100 K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"128 51","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141811533","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}
引用次数: 0
The cocrystal of 2,2′-(hydrazine-1,1-diyl)bis(1H-imidazole-4,5-dicarbonitrile)– methanol (2/3) 2,2′-(肼-1,1-二基)双(1H-咪唑-4,5-二甲腈)-甲醇共晶体 (2/3)
Zeitschrift für Kristallographie - New Crystal Structures
Pub Date : 2024-07-23 DOI: 10.1515/ncrs-2024-0239
Zhang Yuyao, Wang Bo, Shengping Fan, Lin Yunlu
C23H20N20O3, monoclinic, C2/c (no. 15), a = 21.738(2) Å, b = 6.0988(9) Å, c = 24.229(3) Å, β = 114.396(4)°, V = 2,925.3(7) Å3, Z = 4, R gt (F) = 0.0533, wR ref (F 2) = 0.1434, T = 170 K.
C23H20N20O3，单斜，C2/c（编号 15），a = 21.738(2)埃，b = 6.0988(9)埃，c = 24.229(3)埃，β = 114.396(4)°，V = 2,925.3(7) 埃3，Z = 4，R gt (F) = 0.0533，wR ref (F 2) = 0.1434，T = 170 K。
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引用次数: 0
Crystal structure of (3,6-di(2-pyridyl)-4-methylphenyl pyridazine-k 2 N,N′)-bis(1-phenyl-pyrazole-κ 2 C,N) iridium(III) hexafluorophosphate, C39H29F6IrN8P (3,6-二(2-吡啶基)-4-甲基苯基哒嗪-k 2 N,N′)-双(1-苯基吡唑-κ 2 C,N)六氟磷酸铱(III)，C39H29F6IrN8P 的晶体结构
Zeitschrift für Kristallographie - New Crystal Structures
Pub Date : 2024-07-23 DOI: 10.1515/ncrs-2024-0242
Jun Qian, Liang Ma, Yida Wang
C39H29F6IrN8P, orthorhombic, Pbca (no. 61), a = 19.6205(7) Å, b = 16.2026(6) Å, c = 23.0700(8) Å, V = 7334.0(5) Å3, Z = 8, R gt (F) = 0.0258, wR ref (F 2) = 0.0611, T = 293 K.
C39H29F6IrN8P，正菱形，Pbca（编号 61），a = 19.6205(7)埃，b = 16.2026(6)埃，c = 23.0700(8)埃，V = 7334.0(5)埃3，Z = 8，R gt (F) = 0.0258，wR ref (F 2) = 0.0611，T = 293 K。
{"title":"Crystal structure of (3,6-di(2-pyridyl)-4-methylphenyl pyridazine-k\u0000 2\u0000 N,N′)-bis(1-phenyl-pyrazole-κ\u0000 2\u0000 C,N) iridium(III) hexafluorophosphate, C39H29F6IrN8P","authors":"Jun Qian, Liang Ma, Yida Wang","doi":"10.1515/ncrs-2024-0242","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0242","url":null,"abstract":"\u0000 C39H29F6IrN8P, orthorhombic, Pbca (no. 61), a = 19.6205(7) Å, b = 16.2026(6) Å, c = 23.0700(8) Å, V = 7334.0(5) Å3, Z = 8, R\u0000 \u0000 gt\u0000 (F) = 0.0258, wR\u0000 \u0000 ref\u0000 (F\u0000 2) = 0.0611, T = 293 K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141810022","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}
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