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Crystal structure of iprodione, C 13 H 13 Cl 2 N 3 O 3 异丙酮c13h13cl2n3o3的晶体结构
4区 材料科学
Powder Diffraction Pub Date : 2025-06-19 DOI: 10.1017/s0885715625100742
James A. Kaduk, Anja Došen, Thomas N. Blanton
{"title":"Crystal structure of iprodione, C <sub>13</sub> H <sub>13</sub> Cl <sub>2</sub> N <sub>3</sub> O <sub>3</sub>","authors":"James A. Kaduk, Anja Došen, Thomas N. Blanton","doi":"10.1017/s0885715625100742","DOIUrl":"https://doi.org/10.1017/s0885715625100742","url":null,"abstract":"Abstract The crystal structure of iprodione has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Iprodione crystallizes in the space group P2 1 /c (#14) with a = 15.6469(3), b = 22.8436(3), c = 8.67226(10) Å, β = 94.1303(7)°, V = 3,091.70(9) Å 3 , and Z = 8 at 298 K. The crystal structure contains clusters of four iprodione molecules. The only two classical N–H···O hydrogen bonds in the structure are both intramolecular. The powder pattern has been submitted to the International Centre for Diffraction Data for inclusion in the Powder Diffraction File ™ (PDF ® ).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"40 3","pages":"231-235"},"PeriodicalIF":0.0,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/DCACD2380188129472E9A8089B443AF1/S0885715625100742a.pdf/div-class-title-crystal-structure-of-iprodione-c-span-class-sub-13-span-h-span-class-sub-13-span-cl-span-class-sub-2-span-n-span-class-sub-3-span-o-span-class-sub-3-span-div.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147330756","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A proposed crystal structure of fruquintinib Form I, C 21 H 19 N 3 O 5 氟喹替尼的晶体结构：c21h19n3o5
4区 材料科学
Powder Diffraction Pub Date : 2025-06-16 DOI: 10.1017/s0885715625100808
James A. Kaduk, Anja Došen, Thomas N. Blanton
{"title":"A proposed crystal structure of fruquintinib Form I, C <sub>21</sub> H <sub>19</sub> N <sub>3</sub> O <sub>5</sub>","authors":"James A. Kaduk, Anja Došen, Thomas N. Blanton","doi":"10.1017/s0885715625100808","DOIUrl":"https://doi.org/10.1017/s0885715625100808","url":null,"abstract":"Abstract The crystal structure of fruquintinib Form I has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Fruquintinib Form I crystallizes in space group C2 (#5) with a = 35.4167(22), b = 3.90500(12), c = 26.9370(11) Å, β = 108.0290(22)°, V = 3,542.52(26) Å 3 , and Z = 8 at 298 K. The crystal structure consists of double layers of each of the two independent molecules parallel to the ab -plane. These layers stack along the short b -axis. N–H···N hydrogen bonds link the layers. Most of the C–H···N and C–H···O hydrogen bonds are intramolecular. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File ™ (PDF ® ).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"40 4","pages":"376-382"},"PeriodicalIF":0.0,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/B148D9A898D7EEF99218B176051A31AB/S0885715625100808a.pdf/div-class-title-a-proposed-crystal-structure-of-fruquintinib-form-i-c-span-class-sub-21-span-h-span-class-sub-19-span-n-span-class-sub-3-span-o-span-class-sub-5-span-div.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147332089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Powder pattern and hydrogen bonding in the crystal structure of phenelzine sulfate, C 8 H 14 N 2 (SO 4 ) 硫酸苯乙嗪c8h14n2 （so4）晶体结构中的粉末形态和氢键
4区 材料科学
Powder Diffraction Pub Date : 2025-06-11 DOI: 10.1017/s0885715625000545
James A. Kaduk, Anja Došen, Thomas N. Blanton
{"title":"Powder pattern and hydrogen bonding in the crystal structure of phenelzine sulfate, C <sub>8</sub> H <sub>14</sub> N <sub>2</sub> (SO <sub>4</sub> )","authors":"James A. Kaduk, Anja Došen, Thomas N. Blanton","doi":"10.1017/s0885715625000545","DOIUrl":"https://doi.org/10.1017/s0885715625000545","url":null,"abstract":"Abstract Phenelzine sulfate crystallizes in the space group P2 1 /c (#14) with a = 20.7418(15), b = 5.51507(5), c = 20.6038(11) Å, β = 109.5490(25)°, V = 2,221.06(9) Å 3 , and Z = 8 ( Ẓ̣′ = 2) at 298 K. The crystal structure consists of supramolecular double layers of cations and anions parallel to the bc -plane. The inner portion of the layers consists of the charged parts of the cations and the anions, whereas the outer surfaces consist of phenyl rings, with van der Waals interactions between the layers. The sulfate anions stack along the c -axis. Each N–H acts as a donor to at least one sulfate O atom, and each O atom acts as an acceptor in at least one N–H···O hydrogen bond. The powder pattern has been submitted to the International Centre for Diffraction Data for inclusion in the Powder Diffraction File ™ (PDF ® ).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"40 3","pages":"236-240"},"PeriodicalIF":0.0,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/A46B510FB3C3E31CBF339C973C728C19/S0885715625000545a.pdf/div-class-title-powder-pattern-and-hydrogen-bonding-in-the-crystal-structure-of-phenelzine-sulfate-c-span-class-sub-span-class-bold-8-span-span-h-span-class-sub-span-class-bold-14-span-span-n-span-class-sub-span-class-bold-2-span-span-so-span-class-sub-span-class-bold-4-span-span-div.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147914145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of anisomycin, C 14 H 19 NO 4 大霉素c14h19no4的晶体结构
4区 材料科学
Powder Diffraction Pub Date : 2025-06-11 DOI: 10.1017/s0885715625100791
James A. Kaduk, Anja Došen, Thomas N. Blanton
{"title":"Crystal structure of anisomycin, C <sub>14</sub> H <sub>19</sub> NO <sub>4</sub>","authors":"James A. Kaduk, Anja Došen, Thomas N. Blanton","doi":"10.1017/s0885715625100791","DOIUrl":"https://doi.org/10.1017/s0885715625100791","url":null,"abstract":"Abstract The crystal structure of anisomycin, C 14 H 19 NO 4 , has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density theory functional techniques. Anisomycin crystallizes in the space group P2 1 2 1 2 1 (#19) with a = 5.80382(4), b = 8.58149(6), c = 28.63508(26) Å, V = 1,426.183(27) Å 3 , and Z = 4 at 298 K. The crystal structure consists of layers of anisomycin molecules parallel to the ab -plane. The molecules form zig-zag chains of N–H···O and O–H···N hydrogen bonds along the a -axis. The powder pattern has been submitted to the International Centre for Diffraction Data for inclusion in the Powder Diffraction File ™ (PDF ® ).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"40 4","pages":"391-396"},"PeriodicalIF":0.0,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/A8F55C4083F08302896E3BE5B7EA553B/S0885715625100791a.pdf/div-class-title-crystal-structure-of-anisomycin-c-span-class-sub-span-class-bold-14-span-span-h-span-class-sub-span-class-bold-19-span-span-no-span-class-sub-span-class-bold-4-span-span-div.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147332317","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of ethynodiol diacetate, C 24 H 32 O 4 二乙酸乙二醇c24h32o2的晶体结构
4区 材料科学
Powder Diffraction Pub Date : 2025-06-11 DOI: 10.1017/s0885715625100729
James A. Kaduk, Anja Došen, Thomas N. Blanton
{"title":"Crystal structure of ethynodiol diacetate, C <sub>24</sub> H <sub>32</sub> O <sub>4</sub>","authors":"James A. Kaduk, Anja Došen, Thomas N. Blanton","doi":"10.1017/s0885715625100729","DOIUrl":"https://doi.org/10.1017/s0885715625100729","url":null,"abstract":"Abstract The crystal structure of ethynodiol diacetate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Ethynodiol diacetate crystallizes in space group P2 1 (#4) with a = 17.4055(12), b = 7.25631(17), c = 19.6008(14) Å, β = 116.2471(23)°, V = 2,220.33(13) Å 3 , and Z = 4 at 298 K. The crystal structure consists of alternating layers of the two independent molecules parallel to the (101) plane. The molecules do not interact strongly with each other, as reflected by the low density of 1.150 g/cm 3 . The powder pattern has been submitted to the International Centre for Diffraction Data (ICDD) for inclusion in the Powder Diffraction File ™ (PDF ® ).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"40 4","pages":"405-410"},"PeriodicalIF":0.0,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/315FF705F9E431ABFB108FBB3D175BCF/S0885715625100729a.pdf/div-class-title-crystal-structure-of-ethynodiol-diacetate-c-span-class-sub-span-class-bold-24-span-span-h-span-class-sub-span-class-bold-32-span-span-o-span-class-sub-span-class-bold-4-span-span-div.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147332318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of aprocitentan Form A, C 16 H 14 Br 2 N 6 O 4 S 晶体结构为A， c16h14b2n6o4s
4区 材料科学
Powder Diffraction Pub Date : 2025-05-02 DOI: 10.1017/s088571562500017x
James A. Kaduk, Anja Došen, Thomas N. Blanton
{"title":"Crystal structure of aprocitentan Form A, C <sub>16</sub> H <sub>14</sub> Br <sub>2</sub> N <sub>6</sub> O <sub>4</sub> S","authors":"James A. Kaduk, Anja Došen, Thomas N. Blanton","doi":"10.1017/s088571562500017x","DOIUrl":"https://doi.org/10.1017/s088571562500017x","url":null,"abstract":"Abstract The crystal structure of aprocitentan Form A has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Aprocitentan Form A crystallizes in space group P-1 (#2) with a = 11.7381(11), b = 10.6771(12), c = 9.6624(5) Å, α = 110.4365(13), β = 92.3143(13), γ = 113.513 (2)°, V = 1,017.53(5) Å 3 , and Z = 2 at 298 K. The crystal structure consists of layers of aprocitentan molecules, approximately along the 1,-7,7 plane. N–H···N hydrogen bonds link the molecules within these layers. The powder pattern has been submitted to the International Centre for Diffraction Data for inclusion in the Powder Diffraction File™.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"40 2","pages":"168-174"},"PeriodicalIF":0.0,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/9503591243DDD86D09305DEE5F4730A0/S088571562500017Xa.pdf/div-class-title-crystal-structure-of-aprocitentan-form-a-c-span-class-sub-span-class-bold-16-span-span-h-span-class-sub-span-class-bold-14-span-span-br-span-class-sub-span-class-bold-2-span-span-n-span-class-sub-span-class-bold-6-span-span-o-span-class-sub-span-class-bold-4-span-span-s-div.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147333626","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of etrasimod, C 26 H 26 F 3 NO 3 c26h26f3no3的晶体结构
4区 材料科学
Powder Diffraction Pub Date : 2025-02-27 DOI: 10.1017/s0885715625000107
James A. Kaduk, Anja Došen, Thomas N. Blanton
{"title":"Crystal structure of etrasimod, C <sub>26</sub> H <sub>26</sub> F <sub>3</sub> NO <sub>3</sub>","authors":"James A. Kaduk, Anja Došen, Thomas N. Blanton","doi":"10.1017/s0885715625000107","DOIUrl":"https://doi.org/10.1017/s0885715625000107","url":null,"abstract":"Abstract The crystal structure of etrasimod has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Etrasimod crystallizes in space group P1 (#1) with a = 10.6131(5), b = 10.7003(5), c = 11.1219(8) Å, α = 72.756(2), β = 76.947(2), γ = 77.340(1)°, V = 1159.28(6) Å 3 , and Z = 2 at 298 K. The crystal structure contains O▬H⋯O hydrogen-bonded etrasimod dimers, which lie in layers approximately parallel to the (2,0,−1) plane. The amino group of each molecule forms an intramolecular N▬H⋯O hydrogen bond to the carbonyl group of the adjacent carboxylic acid group. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"40 2","pages":"134-139"},"PeriodicalIF":0.0,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/87D992AC1B4854E8DAB261E4B43BAE73/S0885715625000107a.pdf/div-class-title-crystal-structure-of-etrasimod-c-span-class-sub-26-span-h-span-class-sub-26-span-f-span-class-sub-3-span-no-span-class-sub-3-span-div.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147911432","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of diroximel fumarate, C 11 H 13 NO 6 富马酸二呋辛梅尔c11h13no6的晶体结构
4区 材料科学
Powder Diffraction Pub Date : 2025-02-27 DOI: 10.1017/s0885715625000119
James A. Kaduk, Anja Došen, Thomas N. Blanton
{"title":"Crystal structure of diroximel fumarate, C <sub>11</sub> H <sub>13</sub> NO <sub>6</sub>","authors":"James A. Kaduk, Anja Došen, Thomas N. Blanton","doi":"10.1017/s0885715625000119","DOIUrl":"https://doi.org/10.1017/s0885715625000119","url":null,"abstract":"Abstract The crystal structure of diroximel fumarate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Diroximel fumarate crystallizes in space group P-1 (#2) with a = 6.12496(15), b = 8.16516(18), c = 12.7375(6) Å, α = 85.8174(21), β = 81.1434(12), γ = 71.1303(3)°, V = 595.414(23) Å 3 , and Z = 2 at 298 K. The crystal structure consists of interleaved double layers of hook-shaped molecules parallel to the ab -plane. The side chains form the inner portion of the layers, and the rings comprise the outer surfaces. There are no classical hydrogen bonds in the structure, but 9 C▬H⋯O hydrogen bonds contribute to the crystal energy. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"40 2","pages":"140-145"},"PeriodicalIF":0.0,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/B2B778A2D369C5EA9C305BF245D3E1A5/S0885715625000119a.pdf/div-class-title-crystal-structure-of-diroximel-fumarate-c-span-class-sub-11-span-h-span-class-sub-13-span-no-span-class-sub-6-span-div.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147881823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hydrogen bonding in the crystal structure of molnupiravir Form I, C 13 H 19 N 3 O 7 molnupiravir晶体结构中的氢键
4区 材料科学
Powder Diffraction Pub Date : 2025-01-16 DOI: 10.1017/s0885715624000599
Tawnee M. Ens, James A. Kaduk, M. Rost, Anja Došen, Thomas N. Blanton
{"title":"Hydrogen bonding in the crystal structure of molnupiravir Form I, C <sub>13</sub> H <sub>19</sub> N <sub>3</sub> O <sub>7</sub>","authors":"Tawnee M. Ens, James A. Kaduk, M. Rost, Anja Došen, Thomas N. Blanton","doi":"10.1017/s0885715624000599","DOIUrl":"https://doi.org/10.1017/s0885715624000599","url":null,"abstract":"Molnupiravir Form I crystallizes in space group C 2 (#5) with a = 6.48110(17), b = 8.71848(19), c = 27.0607(19) Å, β = 91.920(4)°, V = 1528.22(12) Å 3 , and Z = 4 at 295 K. The crystal structure consists of supramolecular double layers of molecules parallel to the ab -plane. The layer centers consist of hydrogen-bonded rings forming a 2D network and the outer surfaces of isopropyl groups, with van der Waals interactions between the layers. Each O atom acts as an acceptor in at least one hydrogen bond. A strong O–H⋯O hydrogen bond forms between the hydroxyl group of the oxolane ring and the carbonyl group of the oxopyrimidine ring. The other oxolane hydroxyl group forms bifurcated intra- and intermolecular hydrogen bonds. The hydroxylamino group forms an intramolecular O–H⋯N hydrogen bond with an N atom of the oxopyrimidine ring. The amino group forms an intermolecular N–H⋯N hydrogen bond to the same N atom of the ring. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"40 1","pages":"72-75"},"PeriodicalIF":0.0,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/ED6429A461711C70644CDF2525A02FEA/S0885715624000599a.pdf/div-class-title-hydrogen-bonding-in-the-crystal-structure-of-molnupiravir-form-i-c-span-class-sub-13-span-h-span-class-sub-19-span-n-span-class-sub-3-span-o-span-class-sub-7-span-div.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147889866","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of cariprazine dihydrochloride, C 21 H 34 Cl 2 N 4 OCl 2 盐酸卡吡嗪c21h34cl2n4ocl2的晶体结构
4区 材料科学
Powder Diffraction Pub Date : 2024-10-28 DOI: 10.1017/s0885715624000526
James A. Kaduk, M. Rost, Anja Došen, Thomas N. Blanton
{"title":"Crystal structure of cariprazine dihydrochloride, C <sub>21</sub> H <sub>34</sub> Cl <sub>2</sub> N <sub>4</sub> OCl <sub>2</sub>","authors":"James A. Kaduk, M. Rost, Anja Došen, Thomas N. Blanton","doi":"10.1017/s0885715624000526","DOIUrl":"https://doi.org/10.1017/s0885715624000526","url":null,"abstract":"The crystal structure of cariprazine dihydrochloride has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Cariprazine dihydrochloride crystallizes in space group P2 1 /n (#14) with a = 27.26430(14), b = 7.29241(1), c = 12.80879(4) Å, β = 99.5963(2)°, V = 2511.038(8) Å 3 , and Z = 4 at 295 K. The crystal structure consists of layers of cations parallel to the bc -plane. The cations stack along the b -axis. Each H atom on the two protonated N atoms participates in a discrete N–H⋯Cl hydrogen bond. One Cl anion acts as an acceptor in two of these bonds, while the other Cl is an acceptor in only one bond. The result is to link the cations and anions into columns parallel to the b -axis. The powder pattern has been submitted to the ICDD for inclusion in the Powder Diffraction File™ (PDF®).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"40 1","pages":"89-93"},"PeriodicalIF":0.0,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/CA4B1C0FF9A57586E6369F1386E1856F/S0885715624000526a.pdf/div-class-title-crystal-structure-of-cariprazine-dihydrochloride-c-span-class-sub-21-span-h-span-class-sub-34-span-cl-span-class-sub-2-span-n-span-class-sub-4-span-ocl-span-class-sub-2-span-div.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147904359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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