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The crystal structure of N,N′-carbonylbis(2,6-difluorobenzamide), C15H8F4N2O3 N,N′-羰基双(2,6-二氟苯甲酰胺)C15H8F4N2O3 的晶体结构
Pub Date : 2024-04-15 DOI: 10.1515/ncrs-2024-0113
Zhongming Zhang, Xiaojuan Xu, Li Sun, Xiaojun Wang, Huabo Zhang
C15H8F4N2O3, monoclinic, P21/n (no. 14), a = 11.2759(7) Å, b = 9.0182(5) Å, c = 14.2235(8) Å, β = 93.834(2)°, V = 1443.13(15) Å3, Z = 4, Rgt (F) = 0.0391, wRref (F 2) = 0.1067, T = 273.15 K.
C15H8F4N2O3,单斜,P21/n(编号 14),a = 11.2759(7)埃,b = 9.0182(5)埃,c = 14.2235(8)埃,β = 93.834(2)°,V = 1443.13(15)埃3,Z = 4,Rgt (F) = 0.0391,wRref (F 2) = 0.1067,T = 273.15 K。
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引用次数: 0
The crystal structure of 2,8-diethyl-1,3,7,9-tetramethyl-4λ4,5λ4-spiro[dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine-5,2′-naphtho[1,8-de][1,3,2]dioxaborinine], C25H29BN2O2 The crystal structure of 2,8-diethyl-1,3,7,9-tetramethyl-4λ4,5λ4-spiro[dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine-5,2′-naphtho[1,8-de][1,3,2]dioxaborinine], C25H29BN2O2
Pub Date : 2024-04-15 DOI: 10.1515/ncrs-2024-0053
G. H. Al-Hazmi, Moamen S. Refat, Rabia Usman, Arshad Khan
C25H29BN2O2, monoclinic, P21/c (no. 14), a = 13.1591(3) Å, b = 13.9362(3) Å, c = 13.0463(3) Å, β = 112.066(3)°, V = 2217.29(10) Å3, Z = 4, R gt (F) = 0.0419, wR ref (F 2) = 0.1068, T = 150 K.
C25H29BN2O2,单斜,P21/c(编号 14),a = 13.1591(3)埃,b = 13.9362(3)埃,c = 13.0463(3)埃,β = 112.066(3)°,V = 2217.29(10) Å3,Z = 4,R gt (F) = 0.0419,wR ref (F 2) = 0.1068,T = 150 K。
{"title":"The crystal structure of 2,8-diethyl-1,3,7,9-tetramethyl-4λ4,5λ4-spiro[dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine-5,2′-naphtho[1,8-de][1,3,2]dioxaborinine], C25H29BN2O2","authors":"G. H. Al-Hazmi, Moamen S. Refat, Rabia Usman, Arshad Khan","doi":"10.1515/ncrs-2024-0053","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0053","url":null,"abstract":"\u0000 C25H29BN2O2, monoclinic, P21/c (no. 14), a = 13.1591(3) Å, b = 13.9362(3) Å, c = 13.0463(3) Å, β = 112.066(3)°, V = 2217.29(10) Å3, Z = 4, R\u0000 \u0000 gt\u0000 (F) = 0.0419, wR\u0000 \u0000 ref\u0000 (F\u0000 2) = 0.1068, T = 150 K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"48 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140702874","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 1-(1-adamantan-1-yl)ethyl-3-(3-methoxyphenyl)thiourea, C20H28N2OS 1-(1-金刚烷-1-基)乙基-3-(3-甲氧基苯基)硫脲(C20H28N2OS)的晶体结构
Pub Date : 2024-04-15 DOI: 10.1515/ncrs-2024-0107
Shahnez Chaouch, Mohamed El-Naggar, Ihsan A. Shehadi, M. Khanfar, Raed A. Al-Qawasmeh
C20H28N2OS, triclinic, P1̄ (no. 2), a = 6.7356(10) Å, b = 10.8739(15) Å, c = 13.245(2) Å, α = 75.580(7)°, β = 78.612(7)°, γ = 87.564(7)°, V = 921.0(2) Å3, Z = 2, R gt(F) = 0.0796, wR ref(F 2) = 0.2666, T = 100(2) K.
C20H28N2OS, 三菱形, P1̄ (no. 2), a = 6.7356(10) Å, b = 10.8739(15) Å, c = 13.245(2) Å, α = 75.580(7)°, β = 78.612(7)°, γ = 87.564(7)°, V = 921.0(2) Å3, Z = 2, R gt(F) = 0.0796, wR ref(F 2) = 0.2666, T = 100(2) K。
{"title":"The crystal structure of 1-(1-adamantan-1-yl)ethyl-3-(3-methoxyphenyl)thiourea, C20H28N2OS","authors":"Shahnez Chaouch, Mohamed El-Naggar, Ihsan A. Shehadi, M. Khanfar, Raed A. Al-Qawasmeh","doi":"10.1515/ncrs-2024-0107","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0107","url":null,"abstract":"\u0000 C20H28N2OS, triclinic, P1̄ (no. 2), a = 6.7356(10) Å, b = 10.8739(15) Å, c = 13.245(2) Å, α = 75.580(7)°, β = 78.612(7)°, γ = 87.564(7)°, V = 921.0(2) Å3, Z = 2, R\u0000 gt(F) = 0.0796, wR\u0000 ref(F\u0000 2) = 0.2666, T = 100(2) K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"248 2‐8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140703995","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 1-(4-chlorophenyl)-4-(2-furoyl)-3-phenyl-1H-pyrazol-5-ol, C20H13ClN2O3 1-(4-氯苯基)-4-(2-呋喃基)-3-苯基-1H-吡唑-5-醇,C20H13ClN2O3 的晶体结构
Pub Date : 2024-04-15 DOI: 10.1515/ncrs-2024-0097
Qiong Wu, Wei-Ya Zhang, Zi-Mo Zhang, Heng-Qiang Zhang, Tong-Yin Jin
C20H13ClN2O3, monoclinic, P21/n (no. 14), a = 6.2256(5) Å, b = 18.3976(15) Å, c = 14.5582(15) Å, β = 90.555(8)°, V = 1667.4(3) Å3, Z = 4, R gt(F) = 0.0443, wR ref(F 2) = 0.1003, T = 153(2) K.
C20H13ClN2O3,单斜,P21/n(编号 14),a = 6.2256(5)埃,b = 18.3976(15)埃,c = 14.5582(15)埃,β = 90.555(8)°,V = 1667.4(3)埃3,Z = 4,R gt(F) = 0.0443,wR ref(F 2) = 0.1003,T = 153(2) K。
{"title":"Crystal structure of 1-(4-chlorophenyl)-4-(2-furoyl)-3-phenyl-1H-pyrazol-5-ol, C20H13ClN2O3","authors":"Qiong Wu, Wei-Ya Zhang, Zi-Mo Zhang, Heng-Qiang Zhang, Tong-Yin Jin","doi":"10.1515/ncrs-2024-0097","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0097","url":null,"abstract":"\u0000 C20H13ClN2O3, monoclinic, P21/n (no. 14), a = 6.2256(5) Å, b = 18.3976(15) Å, c = 14.5582(15) Å, β = 90.555(8)°, V = 1667.4(3) Å3, Z = 4, R\u0000 gt(F) = 0.0443, wR\u0000 ref(F\u0000 2) = 0.1003, T = 153(2) K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"14 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140700757","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
Synthesis and crystal structure of trans-tetraaqua-bis((1-((7-hydroxy-3-(4-methoxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carbonyl)oxy-κO)zinc(II)hexahydrate, C46H64N2O28S2Zn 反式四水合双((1-((7-羟基-3-(4-甲氧基-3-磺酸基苯基)-4-氧代-4H-苯并吡喃-8-基)甲基)哌啶-1-鎓-4-甲酰)氧-κO)锌(II)六水合物,C46H64N2O28S2Zn 的合成及晶体结构
Pub Date : 2024-04-15 DOI: 10.1515/ncrs-2024-0093
Hai‐Lin Chen, Ze-Ping Luo, Ming-Huan Chen, Li Pan, Jian-Jing Lan, Dong-Mei Yao
C46H64N2O28S2Zn, monoclinic, P21/c (no. 14), a = 18.155(2) Å, b = 9.0872(11) Å, c = 16.373(2) Å, β = 108.095(13)°, V = 2567.6(6) Å3, Z = 2, R gt(F) = 0.0712, wR ref(F 2) = 0.1295, T = 296.15 K.
C46H64N2O28S2Zn,单斜,P21/c(编号 14),a = 18.155(2)埃,b = 9.0872(11)埃,c = 16.373(2)埃,β = 108.095(13)°,V = 2567.6(6)埃3,Z = 2,R gt(F) = 0.0712,wR ref(F 2) = 0.1295,T = 296.15 K。
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引用次数: 0
The crystal structure of 1-(3-carboxypropyl)-1H-imidazole-3-oxide, C7H10N2O3 1-(3-羧丙基)-1H-咪唑-3-氧化物 C7H10N2O3 的晶体结构
Pub Date : 2024-04-11 DOI: 10.1515/ncrs-2024-0100
Song Le, He Dan, Wanghua Hu, LiZhen Chen
C7H10N2O3, monoclinic, Cc (no. 9), a = 8.8611(4) Å, b = 13.8991(7) Å, c = 7.7194(5) Å, β = 124.527(1)°, V = 783.27(7) Å3, Z = 4, R gt (F) = 0.0493, wR ref (F 2) = 0.1257, T = 170 K.
C7H10N2O3,单斜,Cc(9 号),a = 8.8611(4)埃,b = 13.8991(7)埃,c = 7.7194(5)埃,β = 124.527(1)°,V = 783.27(7)埃3,Z = 4,R gt (F) = 0.0493,wR ref (F 2) = 0.1257,T = 170 K。
{"title":"The crystal structure of 1-(3-carboxypropyl)-1H-imidazole-3-oxide, C7H10N2O3","authors":"Song Le, He Dan, Wanghua Hu, LiZhen Chen","doi":"10.1515/ncrs-2024-0100","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0100","url":null,"abstract":"\u0000 C7H10N2O3, monoclinic, Cc (no. 9), a = 8.8611(4) Å, b = 13.8991(7) Å, c = 7.7194(5) Å, β = 124.527(1)°, V = 783.27(7) Å3, Z = 4, R\u0000 \u0000 gt\u0000 (F) = 0.0493, wR\u0000 \u0000 ref\u0000 (F\u0000 2) = 0.1257, T = 170 K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"88 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140713824","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 tetrakis(μ 2-(1H-benzimidazole-2-methoxo-κ2 N,O:O:O)-(n-butanol-κO)-chlorido)-tetranickel(II), C48H68Cl4N8O8Ni4 四(μ 2-(1H-苯并咪唑-2-甲氧基-κ2 N,O:O:O)-(正丁醇-κO)-氯)-四镍(II),C48H68Cl4N8O8Ni4 的晶体结构
Pub Date : 2024-04-11 DOI: 10.1515/ncrs-2024-0092
Yanfei Wang, Xiujuan He, Qian Mao, Jinlan Ji
C48H68Cl4N8O8Ni4, tetragonal, I41/a (no. 88), a = 16.9137(5) Å, c = 19.5028(13) Å, V = 5579.2(5) Å3, Z = 4, Rgt (F) = 0.0391, wRref (F 2) = 0.1221, T = 293 K.
C48H68Cl4N8O8Ni4,四边形,I41/a(编号 88),a = 16.9137(5)埃,c = 19.5028(13)埃,V = 5579.2(5)埃3,Z = 4,Rgt (F) = 0.0391,wRref (F 2) = 0.1221,T = 293 K。
{"title":"The crystal structure of tetrakis(μ\u0000 2-(1H-benzimidazole-2-methoxo-κ2\u0000 N,O:O:O)-(n-butanol-κO)-chlorido)-tetranickel(II), C48H68Cl4N8O8Ni4","authors":"Yanfei Wang, Xiujuan He, Qian Mao, Jinlan Ji","doi":"10.1515/ncrs-2024-0092","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0092","url":null,"abstract":"\u0000 C48H68Cl4N8O8Ni4, tetragonal, I41/a (no. 88), a = 16.9137(5) Å, c = 19.5028(13) Å, V = 5579.2(5) Å3, Z = 4, Rgt\u0000 (F) = 0.0391, wRref\u0000 (F\u0000 2) = 0.1221, T = 293 K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"21 S2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140714501","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 methyl-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C20H20N2O2 1-(对甲苯基)-2,3,4,9-四氢-1H-吡啶并[3,4-b]吲哚-3-羧酸甲酯(C20H20N2O2)的晶体结构
Pub Date : 2024-04-11 DOI: 10.1515/ncrs-2024-0103
Yanrong Gao, Xiaolin Dang, Yanjiao Wang, Bin Liu, Wenqiang Tang
C20H20N2O2, monoclinic, P21 (no. 4), a = 8.3293(4) Å, b = 11.3947(5) Å, c = 8.9536(4) Å, β = 108.489(2)°, V = 805.92(6) Å3, Z = 2, Rgt (F) = 0.0495, wRref (F 2) = 0.1094, T = 150 K.
C20H20N2O2,单斜,P21(第 4 号),a = 8.3293(4)埃,b = 11.3947(5)埃,c = 8.9536(4)埃,β = 108.489(2)°,V = 805.92(6)埃3,Z = 2,Rgt (F) = 0.0495,wRref (F 2) = 0.1094,T = 150 K。
{"title":"Crystal structure of methyl-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C20H20N2O2","authors":"Yanrong Gao, Xiaolin Dang, Yanjiao Wang, Bin Liu, Wenqiang Tang","doi":"10.1515/ncrs-2024-0103","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0103","url":null,"abstract":"\u0000 C20H20N2O2, monoclinic, P21 (no. 4), a = 8.3293(4) Å, b = 11.3947(5) Å, c = 8.9536(4) Å, β = 108.489(2)°, V = 805.92(6) Å3, Z = 2, Rgt\u0000 (F) = 0.0495, wRref\u0000 (F\u0000 2) = 0.1094, T = 150 K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"20 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140714033","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 n-propylammonium bis(2,3-dimethylbutane-2,3-diolato)borate-boric acid (1/1), [C3H10N][C12H24BO4]·B(OH)3 正丙基双(2,3-二甲基丁烷-2,3-二醇)硼酸硼酸铵(1/1)[C3H10N][C12H24BO4]-B(OH)3 的晶体结构
Pub Date : 2024-04-09 DOI: 10.1515/ncrs-2024-0057
Hanna Böhme, Marcus Herbig, U. Böhme
[C3H10N][C12H24BO4]·B(OH)3, orthorhombic, Fdd2 (no. 43), a = 30.3986(6) Å, b = 40.4094(13) Å, c = 7.0603(2) Å, V = 8672.8(4) Å3, Z = 16, R gt (F) = 0.0324, wR ref (F 2) = 0.0828, T = 153 K.
[C3H10N][C12H24BO4]-B(OH)3,正交,Fdd2(编号 43),a = 30.3986(6)埃,b = 40.4094(13)埃,c = 7.0603(2)埃,V = 8672.8(4)埃3,Z = 16,R gt (F) = 0.0324,wR ref (F 2) = 0.0828,T = 153 K。
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引用次数: 0
The crystal structure of (2-diphenylphosphanylphenyl) 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate, C31H26NO4P (2-二苯基膦酰基苯基)2-[7-(二甲基氨基)-2-氧代苯并吡喃-4-基]乙酸酯,C31H26NO4P 的晶体结构
Pub Date : 2024-04-09 DOI: 10.1515/ncrs-2024-0065
Constantin Mamat, M. Köckerling
C31H26NO4P, monoclinic, P21/c (no. 14), a = 16.3835(2) Å, b = 14.5755(2) Å, c = 10.5388(2) Å, β = 95.694(1)°, V = 2504.22(7) Å3, Z = 4, Rgt (F) = 0.0435, wRref (F 2) = 0.1310, T = 173(2) K.
C31H26NO4P,单斜,P21/c(编号 14),a = 16.3835(2)埃,b = 14.5755(2)埃,c = 10.5388(2)埃,β = 95.694(1)°,V = 2504.22(7)埃3,Z = 4,Rgt (F) = 0.0435,wRref (F 2) = 0.1310,T = 173(2) K。
{"title":"The crystal structure of (2-diphenylphosphanylphenyl) 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate, C31H26NO4P","authors":"Constantin Mamat, M. Köckerling","doi":"10.1515/ncrs-2024-0065","DOIUrl":"https://doi.org/10.1515/ncrs-2024-0065","url":null,"abstract":"\u0000 C31H26NO4P, monoclinic, P21/c (no. 14), a = 16.3835(2) Å, b = 14.5755(2) Å, c = 10.5388(2) Å, β = 95.694(1)°, V = 2504.22(7) Å3, Z = 4, Rgt\u0000 (F) = 0.0435, wRref\u0000 (F\u0000 2) = 0.1310, T = 173(2) K.","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"205 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140722943","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
期刊
Zeitschrift für Kristallographie - New Crystal Structures
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