Crystallography Open Database

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7249128 CIFC18 H18 N O5 PP 1 21/n 15.51236; 15.23409; 19.29148
90; 97.9423; 90
1604.48Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.
Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions
CrystEngComm, 2024, 26, 4643-4648
7249129 CIFC11 H15 N2 O4 PC 1 2/c 112.0665; 13.6291; 15.2147
90; 92.989; 90
2498.74Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.
Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions
CrystEngComm, 2024, 26, 4643-4648
7249130 CIFC96 H172 N24 O62 P4P -110.7489; 11.1092; 28.1083
92.98; 92.563; 102.701
3264.47Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.
Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions
CrystEngComm, 2024, 26, 4643-4648
7249135 CIFC32 H39 Cl O7C 1 2/c 114.904; 21.449; 9.772
90; 110.651; 90
2923.2Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro
Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule
CrystEngComm, 2024, 26, 4272-4277
7249136 CIFC31.69 H38.74 Br0.95 O7C 1 2/c 114.823; 21.293; 9.842
90; 109.908; 90
2921Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro
Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule
CrystEngComm, 2024, 26, 4272-4277
7249137 CIFC32 H39 I O7C 1 2/c 114.717; 21.315; 9.962
90; 109.453; 90
2946.6Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro
Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule
CrystEngComm, 2024, 26, 4272-4277
7249138 CIFC32 H38 Cl2 O7P -19.71; 13.163; 13.202
111.592; 103.293; 98.851
1473Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro
Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule
CrystEngComm, 2024, 26, 4272-4277
7249139 CIFC62.25 H64.88 Cl3.38 O12P -111.97; 12.882; 18.795
91.412; 100.706; 91.957
2844.6Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro
Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule
CrystEngComm, 2024, 26, 4272-4277
7249140 CIFC10 H10 N2 O5 S2P 1 21/n 15.4959; 15.2745; 13.9065
90; 90.756; 90
1167.31Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun
Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency
CrystEngComm, 2024, 26, 4431-4438
7249141 CIFC20 H16 Br2 Cd N4 O5 S2P -18.3132; 8.5739; 16.6728
81.781; 88.042; 89.048
1175.4Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun
Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency
CrystEngComm, 2024, 26, 4431-4438
7249142 CIFC10 H9 Br N2 O2.5 S Zn0.5C 1 2/c 111.9566; 12.1665; 16.0453
90; 92.158; 90
2332.45Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun
Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency
CrystEngComm, 2024, 26, 4431-4438
7249143 CIFC10 H7 F3 O2P 1 21/c 114.3911; 4.9722; 13.1778
90; 91.829; 90
942.46Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.
Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds
CrystEngComm, 2024, 26, 4470-4477
7249144 CIFC20 H14 F6 O4P -17.893; 8.2222; 14.6037
89.86; 88.678; 82.349
939.06Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.
Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds
CrystEngComm, 2024, 26, 4470-4477
7249145 CIFC10 H7 F3 O2P -17.8672; 7.9953; 14.9972
91.368; 93.753; 94.796
937.61Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.
Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds
CrystEngComm, 2024, 26, 4470-4477
7249146 CIFC16 H18 N4 Ni O8P b c a6.8624; 13.4464; 19.361
90; 90; 90
1786.5Liang, Xiaoqiang; Feng, Shaoqiang; Xie, Fengxia; Wan, Chengan; Zhang, Feng; Feng, Lei; Chen, Wen
Impact of the number of hydrogen bonds on proton conductivity in metallo-hydrogen-bonded organic frameworks: The more, the better at the maximum relative humidity
CrystEngComm, 2024
7249147 CIFC16 H22 N8 Ni O4C 1 2/m 113.9347; 7.1605; 8.9773
90; 95.289; 90
891.94Liang, Xiaoqiang; Feng, Shaoqiang; Xie, Fengxia; Wan, Chengan; Zhang, Feng; Feng, Lei; Chen, Wen
Impact of the number of hydrogen bonds on proton conductivity in metallo-hydrogen-bonded organic frameworks: The more, the better at the maximum relative humidity
CrystEngComm, 2024
7249174 CIFC14 H8 Eu N3 O11P b c m7.9885; 21.6907; 18.2297
90; 90; 90
3158.8Sen, Charanjeet; Devi, Swaita; ., Niharika; Bhagat, Nidhi; Sheikh, Haq Nawaz
Dual Ligand Based 3D Eu-(III) MOF as Multifunctional Sensor for Trace Amount of NACs, Cr3+ and Hg2+ in Aqueous Medium: Synthesis, Crystal Structure and Latent Fingerprint Detection
CrystEngComm, 2024
7249175 CIFC34 H38 F6 N2 O6 SC 1 2 137.617; 10.063; 10.2534
90; 105.192; 90
3745.7Carvalho Jr, Paulo; Diniz, Luan Farinelli; Fernandes, Christian
Spontaneous resolution of RS-Fluoxetine through tetrafluoroborate conglomerate salt and the racemic kryptoracemate formation via sulfate one.
CrystEngComm, 2024
7249176 CIFC17 H21 F3 N O3.97 S0.5C 1 2 136.047; 10.1156; 10.3307
90; 106.07; 90
3619.8Carvalho Jr, Paulo; Diniz, Luan Farinelli; Fernandes, Christian
Spontaneous resolution of RS-Fluoxetine through tetrafluoroborate conglomerate salt and the racemic kryptoracemate formation via sulfate one.
CrystEngComm, 2024
7249177 CIFC17 H19 B F7 N OP 21 21 216.08; 10.89; 27.6
90; 90; 90
1827.4Carvalho Jr, Paulo; Diniz, Luan Farinelli; Fernandes, Christian
Spontaneous resolution of RS-Fluoxetine through tetrafluoroborate conglomerate salt and the racemic kryptoracemate formation via sulfate one.
CrystEngComm, 2024
7249179 CIFC41 H29 N3 OP 1 21/n 112.6993; 16.3312; 14.3395
90; 100.32; 90
2925.8Petdee, Sujinda; Chantanop, Nuttapong; Arunlimsawat, Suangsiri; Saenubol, Atthapon; Nalaoh, Phattananawee; Sudyoadsuk, Taweesak; Promarak, Vinich
Excited-state intramolecular proton-transfer solid-state fluorophores with aggregation-induced emission as efficient emitters for electroluminescent devices
CrystEngComm, 2024, 26, 4698-4707
7249180 CIFC41 H31 N3 OP -110.6202; 11.1341; 13.581
106.157; 97.582; 98.728
1498.7Petdee, Sujinda; Chantanop, Nuttapong; Arunlimsawat, Suangsiri; Saenubol, Atthapon; Nalaoh, Phattananawee; Sudyoadsuk, Taweesak; Promarak, Vinich
Excited-state intramolecular proton-transfer solid-state fluorophores with aggregation-induced emission as efficient emitters for electroluminescent devices
CrystEngComm, 2024, 26, 4698-4707
7249181 CIFC41 H41 Br N4 O6 SP 21 21 219.0487; 16.0617; 26.212
90; 90; 90
3809.6Zhang, Xiaowen; Meng, Dongshuo; Zang, Zongwu; Xu, Zhiru; Liu, Yu
New bedaquiline salt with improved bioavailability and reduced food effect
CrystEngComm, 2024
7249182 CIFC18 H31 Co N8 O12P 1 21/n 114.2165; 6.2003; 28.4449
90; 92.0239; 90
2505.76Singh, Manjeet; Narang, Karan kumar; Kaur, Yashpreet; Patra, Ranjan; Nanda, Prasant K.; Sahoo, Subash Chandra
Synthesis, characterization of a dual-stimuli-responsive cobalt(III) complex: comparison of photo/thermo mechanical behaviour in crystal and polymer composite
CrystEngComm, 2024
7249185 CIFC26 H22 Co N6 O7P -110.1722; 11.4638; 13.3885
112.942; 112.305; 90.803
1305.9Feng, Jia Lin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying
Solvent- and Tatrz-Induced Single-Crystal-to-Single-Crystal Transformations within Cobalt(II)-Triazole MOFs: a Luminescent Probe for Frankincense
CrystEngComm, 2024
7249186 CIFC29 H23 Co N7 O5P -110.1872; 11.7035; 13.0008
113.549; 110.346; 90.932
1310.4Feng, Jia Lin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying
Solvent- and Tatrz-Induced Single-Crystal-to-Single-Crystal Transformations within Cobalt(II)-Triazole MOFs: a Luminescent Probe for Frankincense
CrystEngComm, 2024
7249187 CIFC35 H24 Co N9 O5P -110.242; 12.786; 13.807
63.824; 70.563; 79.963
1529.4Feng, Jia Lin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying
Solvent- and Tatrz-Induced Single-Crystal-to-Single-Crystal Transformations within Cobalt(II)-Triazole MOFs: a Luminescent Probe for Frankincense
CrystEngComm, 2024
7249188 CIFC29 H24 Co N6 O8P 1 21/c 115.6623; 8.77; 20.8453
90; 99.843; 90
2821.1Zhao, Zhixiang; Yang, Yue; Hu, Lin-Hai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang
Six cobalt(II), zinc(II), nickel(II) and copper(II) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition for HSO4-
CrystEngComm, 2024
7249189 CIFC32 H31 Cu N5 O7 SP -110.546; 12.516; 12.968
68.893; 79.659; 72.373
1517.1Zhao, Zhixiang; Yang, Yue; Hu, Lin-Hai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang
Six cobalt(II), zinc(II), nickel(II) and copper(II) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition for HSO4-
CrystEngComm, 2024
7249190 CIFC33 H34 Cu N4 O7 SP -110.8462; 11.8643; 14.141
68.98; 72.701; 73.901
1591.8Zhao, Zhixiang; Yang, Yue; Hu, Lin-Hai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang
Six cobalt(II), zinc(II), nickel(II) and copper(II) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition for HSO4-
CrystEngComm, 2024
7249191 CIFC36 H32 Co N4 O6P 1 21/n 111.1269; 14.2736; 19.7719
90; 94.637; 90
3129.9Zhao, Zhixiang; Yang, Yue; Hu, Lin-Hai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang
Six cobalt(II), zinc(II), nickel(II) and copper(II) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition for HSO4-
CrystEngComm, 2024
7249192 CIFC29 H24 N6 O8 ZnP 1 21/c 115.6033; 8.651; 20.8418
90; 101.023; 90
2761.4Zhao, Zhixiang; Yang, Yue; Hu, Lin-Hai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang
Six cobalt(II), zinc(II), nickel(II) and copper(II) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition for HSO4-
CrystEngComm, 2024
7249193 CIFC62 H56 N12 Ni2 O16P -17.8426; 11.9237; 16.445
89.791; 87.687; 73.487
1473.14Zhao, Zhixiang; Yang, Yue; Hu, Lin-Hai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang
Six cobalt(II), zinc(II), nickel(II) and copper(II) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition for HSO4-
CrystEngComm, 2024
7249203 CIFC29 H28 Co N4 O8P -110.1343; 10.7473; 13.9008
71.026; 88.874; 82.993
1420.7Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun Ren; Chen, Jhy-Der
Designed Synthesis of Co(II) Coordination Polymers for Evaluation of Structural Transformations
CrystEngComm, 2024
7249204 CIFC23 H25 Co N2 O8P -19.834; 11.041; 11.166
85.008; 76.029; 85.758
1170.3Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun Ren; Chen, Jhy-Der
Designed Synthesis of Co(II) Coordination Polymers for Evaluation of Structural Transformations
CrystEngComm, 2024
7249205 CIFC29 H28 Co N4 O8C 1 2/c 127.7041; 9.3364; 10.62
90; 95.3715; 90
2734.87Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun Ren; Chen, Jhy-Der
Designed Synthesis of Co(II) Coordination Polymers for Evaluation of Structural Transformations
CrystEngComm, 2024
7249206 CIFC29 H24.5 Co N4 O6.25P 1 21/n 111.4825; 21.8344; 11.8159
90; 114.862; 90
2687.86Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun Ren; Chen, Jhy-Der
Designed Synthesis of Co(II) Coordination Polymers for Evaluation of Structural Transformations
CrystEngComm, 2024
7249207 CIFC29 H32 Co N4 O10P 1 c 18.9391; 9.8609; 17.51
90; 93.993; 90
1539.7Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun Ren; Chen, Jhy-Der
Designed Synthesis of Co(II) Coordination Polymers for Evaluation of Structural Transformations
CrystEngComm, 2024
7249208 CIFC5 H3 N9 O6P -19.4075; 10.5966; 10.7909
75.498; 87.29; 88.701
1040.21Dong, Wen-Shuai; Zhang, Chao; Xu, Meiqi; Lu, Zu-Jia; Li, Zhimin; Yu, Qiyao; Zhang, Jianguo
Asymmetric functionalized modification of bi(1,2,4-triazole) towards high-energy insensitive materials
CrystEngComm, 2024
7249209 CIFC51 H42 Cl3 N2 O2P -18.8318; 14.6939; 16.5191
85.383; 83.159; 77.5052
2074.75Barnardo, Brandon; Barton, Benita; Hosten, Eric Cyriel
Alternative separation strategy for o-/p-dichlorobenzene mixtures through supramolecular chemistry protocols
CrystEngComm, 2024
7249210 CIFC9 H7 N7 O2 SP 1 21/c 110.3738; 8.305; 13.8405
90; 103.676; 90
1158.61Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar
Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: Phase transformation, solubility, dissolution and stability study
CrystEngComm, 2024
7249211 CIFC9 H7 N7 O3 SP 1 21/c 14.5053; 25.0747; 24.4596
90; 91.789; 90
2761.8Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar
Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: Phase transformation, solubility, dissolution and stability study
CrystEngComm, 2024
7249212 CIFC11 H11 N7 O3 SP 1 21/c 14.4622; 15.295; 19.852
90; 92.035; 90
1354Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar
Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: Phase transformation, solubility, dissolution and stability study
CrystEngComm, 2024
7249213 CIFC21 H24 N14 O7 S2P 1 21/c 14.379; 25.0168; 24.5692
90; 91.152; 90
2691Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar
Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: Phase transformation, solubility, dissolution and stability study
CrystEngComm, 2024
7249218 CIFC62 H75 Br N2 O10P -111.2957; 12.2233; 24.689
75.969; 89.341; 62.754
2920.6Vinodh, Mickey; Al-Azemi, Talal F
Solvent-induced supramolecular self-assembly in solid-state A1/A2-difunctionlized pillar[5]arene host
CrystEngComm, 2024
7249219 CIFC124 H146 Br2 Cl12 O21P 1 21/c 120.9763; 12.9809; 24.889
90; 106.73; 90
6490.2Vinodh, Mickey; Al-Azemi, Talal F
Solvent-induced supramolecular self-assembly in solid-state A1/A2-difunctionlized pillar[5]arene host
CrystEngComm, 2024
7249220 CIFC62 H81 Br N2 O12C 1 2/c 119.657; 16.4198; 37.8697
90; 90.498; 90
12222.5Vinodh, Mickey; Al-Azemi, Talal F
Solvent-induced supramolecular self-assembly in solid-state A1/A2-difunctionlized pillar[5]arene host
CrystEngComm, 2024
7249221 CIFC127 H154 Br2 N5 O20C 1 2/c 119.665; 16.584; 38.621
90; 91.573; 90
12591Vinodh, Mickey; Al-Azemi, Talal F
Solvent-induced supramolecular self-assembly in solid-state A1/A2-difunctionlized pillar[5]arene host
CrystEngComm, 2024
7249222 CIFC245 H317 Br4 N7 O47C 1 c 119.6591; 16.4212; 37.8641
90; 90.487; 90
12223.1Vinodh, Mickey; Al-Azemi, Talal F
Solvent-induced supramolecular self-assembly in solid-state A1/A2-difunctionlized pillar[5]arene host
CrystEngComm, 2024
7249228 CIFC19 H19 N5 O6 ZnI b c a17.628; 15.8038; 15.6293
90; 90; 90
4354.2Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.
Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands
CrystEngComm, 2024

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