Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section E'

COD ID: 1100118
CIF file Formula: - C10 H36 Al2 F10 N4 O4 -
Comments: E. Goreshnik; M. Leblanc; V. Maisonneuve 1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate Acta Crystallographica, Section E 59(11) (2003) m1059-m1061
Space group: P 1 21/n 1
Cell volume: 1011.2
Cell parameters: 8.493; 8.932; 13.434; 90; 97.141; 90;  

COD ID: 1100119
CIF file Formula: - C6 H24 Al2 F10 N4 O -
Comments: K. Adil; M. Leblanc; V. Maisonneuve [H~4~tren].(Al~2~F~10~).H~2~O Acta Crystallographica, Section E 60(10) (2004) m1379-m1381
Space group: P -1
Cell volume: 745.8
Cell parameters: 7.6996; 8.838; 12.197; 105.87; 97.74; 106.317;  

COD ID: 1100133
CIF file Formula: - C14 H20 Cl4 N2 Zn -
Comments: Rademeyer, M. Bis(p-toluidinium) tetrachlorozincate(II) Acta Crystallographica Section E 61 (2005) m304-m306
Space group: P -1
Cell volume: 973.3
Cell parameters: 7.119; 11.532; 12.49; 107.14; 95.43; 92.03;  

COD ID: 1100172
CIF file Formula: - C8 H10 N2 O5 -
Comments: Bouchouit, Karim; Bendheif, Leulmi; Benali-Cherif, Nouredine D-Phenylglycinium nitrate Acta Crystallographica, Section E 60 (2004) o272-o274
Space group: P 1 21 1
Cell volume: 984.65
Cell parameters: 10.432; 5.645; 16.783; 90; 94.943; 90;  

COD ID: 1100263
CIF file Formula: - C25 H52 B N O3 Si -
Comments: Kocienski, P.; Marsch, M.; Harms, K.; Boche, G. A vinylic α-carbamoyloxy boran with a carbenoid-type bonding situation Acta Crystallographica Section E 58(3) (2002) o336-o337
Space group: P 1 21/n 1
Cell volume: 3028.82
Cell parameters: 14.684; 9.355; 22.515; 90; 101.68; 90;  

COD ID: 1101077
CIF file

Original IUCr paper

Formula: - Li O4 V2 -
Comments: Matsushita, Yoshitaka; Yamaura, Jun-Ichi; Ueda, Yutaka Lithium divanadate spinel, LiV~2~O~4~ Acta Crystallographica, Section E 61(8) (2005) i137-i139
Space group: F d -3 m :2
Cell volume: 560.23
Cell parameters: 8.2437; 8.2437; 8.2437; 90; 90; 90;  

COD ID: 1544027
CIF file

HKL data

Original IUCr paper

Formula: - C20 H14 Cl2 N2 O4 S2 -
Comments: Prajina, Olakkandiyil; Thomas Muthiah, Packianathan; Geiger, David K. Supramolecular interactions in the 1:2 co-crystal of 4,4'-bipyridine and 3-chlorothiophene-2-carboxylic acid Acta Crystallographica Section E 72(10) (2016) 1362-1365
Space group: C 1 2/c 1
Cell volume: 2080.9
Cell parameters: 13.538; 5.123; 30.167; 90; 95.968; 90;  

COD ID: 2000054
CIF file Formula: - C9 H12 N2 O5 -
Comments: Averbuch-Pouchot, M.-T.; Durif, A.; Renard, A.; Kotera, M.; Lhomme, J. (3S,2R)-3-Hydroxy-2-hydroxymethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione Acta Crystallographica Section E 58(3) (2002) o256-o258
Space group: P 1 21 1
Cell volume: 467.065
Cell parameters: 7.467; 6.802; 9.673; 90; 108.07; 90;  

COD ID: 2002982
CIF file Formula: - C16 H36 Ce2 Cu O34 -
Comments: Ng, Seik Weng; Hu, Sheng-Zhi; Razak, Ibrahim Abdul; Fun, Hoong-Kun Bis[hexaaquacerium(III)] tetraaquacopper(II) tetrasquarate dihydrate Acta Crystallographica, Section E 57 (2001) m28-m30
Space group: P 1 21/c 1
Cell volume: 1658.17
Cell parameters: 6.7685; 32.2337; 8.173; 90; 111.578; 90;  

COD ID: 2003034
CIF file Formula: - Mo6 O12 Pr -
Comments: Barrier, N.; Tortelier, J.; Gougeon, P. A new reduced molybdenum oxide with hollandite-type structure, PrMo~6~O~12~ Acta Crystallographica, Section E 57 (2001) i3-i5
Space group: I 4/m
Cell volume: 850.38
Cell parameters: 9.9147; 9.9147; 8.6508; 90; 90; 90;  

COD ID: 2017770
CIF file

Original IUCr paper

Formula: - C7 H10 Ag Br N2 -
Comments: Al-Ktaifani, Mahmoud; Rukiah, Mwaffak Poly[μ-bromido-μ-(2,2-dimethylpropane-1,3-diyl diisocyanide)-silver(I)]: a powder diffraction study Acta Crystallographica, Section E 66(12) (2010) m1555-m1556
Space group: P b c a
Cell volume: 1996.14
Cell parameters: 16.24649; 16.59379; 7.40433; 90; 90; 90;  

COD ID: 2019769
CIF file

HKL data

Original IUCr paper

Formula: - C22 H17 N O4 -
Comments: Vidhyasagar, T.; Rajeswari, K.; Shanthi, D.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A. Crystal structure of (E)-1-(4′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one Acta Crystallographica Section E Crystallographic Communications 71(1) (2015) 1
Space group: P -1
Cell volume: 1762.6
Cell parameters: 10.1924; 10.8732; 16.9675; 97.926; 93.711; 107.729;  

COD ID: 2019773
CIF file

HKL data

Original IUCr paper

Formula: - C11 H8 N4 O8 -
Comments: Muthulakshmi, Selvarasu; Kalaivani, Doraisamyraja Crystal structure and thermal behaviour of pyridinium styphnate Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) 117
Space group: P 1 21/n 1
Cell volume: 1311.99
Cell parameters: 5.9506; 8.1608; 27.0175; 90; 90.379; 90;  

COD ID: 2019807
CIF file

HKL data

Original IUCr paper

Formula: - C23 H19 Cu N3 O3 -
Comments: Hawks, Benjamin; Yan, Jingjing; Basa, Prem; Burdette, Shawn Crystal structure of (pyridine-κN)bis(quinolin-2-olato-κ2N,O)copper(II) monohydrate Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) m38
Space group: P b c a
Cell volume: 4024.6
Cell parameters: 8.9129; 13.9987; 32.2568; 90; 90; 90;  

COD ID: 2019808
CIF file

HKL data

Formula: - C20 H22 Cl N O -
Comments: Shreevidhyaa Suressh, V.; Prathebha, K.; Abdul Basheer, S.; Ponnuswamy, S.; Usha, G. Crystal structure of 2-chloro-1-(3-methyl-2,6-diphenylpiperidin-1-yl)ethanone Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o135
Space group: P 1 21/n 1
Cell volume: 1758.37
Cell parameters: 8.7146; 12.3963; 16.6117; 90; 101.523; 90;  

COD ID: 2019809
CIF file

HKL data

Original IUCr paper

Formula: - C10 H11 I N4 O2 -
Comments: Belguedj, Roumaissa; Bouraiou, Abdelmalek; Merazig, Hocine; Belfaitah, Ali; Bouacida, Sofiane Crystal structure of 1-[(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]pyridinium iodide Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o133
Space group: P 1 21/c 1
Cell volume: 1286.9
Cell parameters: 11.035; 9.073; 12.859; 90; 91.69; 90;  

COD ID: 2019810
CIF file

HKL data

Original IUCr paper

Formula: - C13 H9 Cl2 N O2 -
Comments: Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Rauf, Abdul; Khan, Abdul Haleem Crystal structure of 3-{(E)-[(3,4-dichlorophenyl)imino]methyl}benzene-1,2-diol Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o137
Space group: P -1
Cell volume: 611.19
Cell parameters: 6.4237; 8.8412; 11.7799; 88.606; 76.588; 70.193;  

COD ID: 2019811
CIF file

HKL data

Original IUCr paper

Formula: - C26 H40 Cl N3 O6 -
Comments: Hordiyenko, Olga V.; Zubatyuk, Roman I. Crystal structure of 4-tert-butyl-2-{2-[N-(3,3-dimethyl-2-oxobutyl)-N-isopropylcarbamoyl]phenyl}-1-isopropyl-1H-imidazol-3-ium perchlorate Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) 223
Space group: P 1 21/n 1
Cell volume: 2950.3
Cell parameters: 10.0605; 12.7027; 23.1455; 90; 94.107; 90;  

COD ID: 2019812
CIF file

HKL data

Original IUCr paper

Formula: - C59 H57 Cl17 P4 Pt -
Comments: Anderson, Bradley G.; Hoyte, Sarah A.; Spencer, John L. Crystal structure of bis[1,3-bis(diphenylphosphanyl)propane-κ2P,P′]platinum(II) dichloride chloroform pentasolvate Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) m37
Space group: P c c n
Cell volume: 6738
Cell parameters: 26.2042; 15.312; 16.793; 90; 90; 90;  

COD ID: 2019813
CIF file

HKL data

Original IUCr paper

Formula: - C24 H28 N2 Pd2 S2 -
Comments: Bruno, Giuseppe; Lanza, Santo; Giannetto, Antonino; Sacca, Alessandro; Amiri Rudbari, Hadi Crystal structure of (μ-N,N′-dibenzyldithiooxamidato-κN,S:N′,S′)bis[(η3-crotyl)palladium(II)] Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) m40
Space group: C 1 2/c 1
Cell volume: 2417.03
Cell parameters: 18.324; 7.166; 19.508; 90; 109.341; 90;  

COD ID: 2019814
CIF file

HKL data

Original IUCr paper

Formula: - C15 H12 O3 -
Comments: Belguedj, Roumaissa; Bouacida, Sofiane; Merazig, Hocine; Chibani, Aissa; Bouraiou, Abdelmalek Crystal structure of (2S/2R,3S/3R)-3-hydroxy-2-phenylchroman-4-one Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o131
Space group: P 1 21/c 1
Cell volume: 1191.18
Cell parameters: 5.3068; 26.711; 9.4679; 90; 117.431; 90;  

COD ID: 2019815
CIF file

HKL data

Original IUCr paper

Formula: - C38 H38 Ag N5 O3 P2 S2 -
Comments: Nawaz, Sidra; Tahir, Muhammad Nawaz; Nadeem, Muhammad Amir; Mehmood, Bushra; Ahmad, Saeed Crystal structure of bis(thiourea-κS)bis(triphenylphosphane-κP)silver(I) nitrate Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) 220
Space group: P 1 21/n 1
Cell volume: 3895.2
Cell parameters: 15.0519; 15.1758; 17.9186; 90; 107.886; 90;  

COD ID: 2019821
CIF file

Original IUCr paper

Formula: - C9 H29 Cl3 O P3 Rh -
Comments: Merola, Joseph S.; Franks, Marion A. Crystal structures offac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate andfac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) 226
Space group: C 1 c 1
Cell volume: 1825.5
Cell parameters: 15.865; 9.0396; 14.8223; 90; 120.82; 90;  

COD ID: 2019822
CIF file

HKL data

Formula: - C9.5 H29 Cl3 O0.5 P3 Rh -
Comments: Merola, Joseph S.; Franks, Marion A. Crystal structures offac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate andfac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) 226
Space group: P 1 21/n 1
Cell volume: 3731.7
Cell parameters: 16.0993; 15.591; 16.4152; 90; 115.084; 90;  

COD ID: 2019823
CIF file

HKL data

Original IUCr paper

Formula: - C64.5 H54 Cl Fe O3 P3 Pt Si -
Comments: Mohamed, Ahmed Said; Jourdain, Isabelle; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M. Crystal structure of tricarbonyl(μ-diphenylphosphido-κ2P:P)(methyldiphenylsilyl-κSi)bis(triphenylphosphane-κP)iron(II)platinum(0)(Fe—Pt) Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) 241
Space group: P -1
Cell volume: 2784.8
Cell parameters: 10.3522; 13.001; 21.9803; 99.823; 99.061; 102.677;  

COD ID: 2019824
CIF file

HKL data

Original IUCr paper

Formula: - C5 H8 N4 O5 S -
Comments: Rajkumar, M. Ambrose; NizamMohideen, M.; Xavier, S. Stanly John; Anbarasu, S.; Devarajan, Dr. Prem Anand Crystal structure of 2-amino-5-nitropyridinium sulfamate Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) 231
Space group: P b c n
Cell volume: 1872.23
Cell parameters: 28.0866; 9.0052; 7.4023; 90; 90; 90;  

COD ID: 2019825
CIF file

HKL data

Original IUCr paper

Formula: - C14 H16 Cl2 Cu2 N2 O4 -
Comments: Boonlue, Sujirat; Sirikulkajorn, Anchalee; Chainok, Kittipong Crystal structure of bis[μ-methoxy(pyridin-2-yl)methanolato-κ3N,O:O]bis[chloridocopper(II)] Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) m44
Space group: P 1 21/n 1
Cell volume: 824.5
Cell parameters: 10.5568; 4.0728; 19.257; 90; 95.28; 90;  

COD ID: 2019826
CIF file

HKL data

Original IUCr paper

Formula: - C42 H36 B2 Cu2 F8 Fe3 N6 O2 -
Comments: Strehler, Frank; Korb, Marcus; Lang, Heinrich Crystal structure of paddle-wheel sandwich-type [Cu2{(CH3)2CO}{μ-Fe(η5-C5H4C[triple-bond]N)2}3](BF4)2·(CH3)2CO Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) 244
Space group: P -1
Cell volume: 2106.5
Cell parameters: 7.9947; 13.9384; 19.923; 72.942; 82.968; 87.936;  

COD ID: 2019827
CIF file

HKL data

Original IUCr paper

Formula: - H6 Mn O6 Sn -
Comments: Lafuente, Barbara; Yang, Hexiong; Downs, Robert T. Crystal structure of tetrawickmanite, Mn2+Sn4+(OH)6 Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) 234-237
Space group: P 42/n :2
Cell volume: 482.17
Cell parameters: 7.8655; 7.8655; 7.7938; 90; 90; 90;  

COD ID: 2019828
CIF file

HKL data

Formula: - C6 H12 O6 -
Comments: Ishii, Tomohiko; Senoo, Tatsuya; Kozakai, Taro; Fukada, Kazuhiro; Sakane, Genta Crystal structure of β-D,L-allose Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o139
Space group: P 1 21/c 1
Cell volume: 739.36
Cell parameters: 4.98211; 12.5624; 11.8156; 90; 91.1262; 90;  

COD ID: 2019829
CIF file

HKL data

Original IUCr paper

Formula: - C17 H18 N2 O2 S2 -
Comments: Tan, Yew-Fung; Break, Mohammed Khaled bin; Tahir, M. Ibrahim M.; Khoo, Teng-Jin Crystal structure of benzyl (E)-2-(3,4-dimethoxybenzylidene)hydrazine-1-carbodithioate Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) 238
Space group: P -1
Cell volume: 1669.2
Cell parameters: 9.6432; 10.796; 16.1673; 90.899; 97.203; 91.2;  

COD ID: 2019830
CIF file

HKL data

Original IUCr paper

Formula: - C22 H17 Cl2 Hg N3 -
Comments: Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V.; Iskenderov, Turganbay S. Crystal structure of dichlorido{N1-phenyl-N4-[(quinolin-2-yl-κN)methylidene]benzene-1,4-diamine-κN4}mercury(II) Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) m46
Space group: C 1 2/c 1
Cell volume: 4111.3
Cell parameters: 29.265; 7.5671; 18.811; 90; 99.271; 90;  

COD ID: 2019831
CIF file

HKL data

Formula: - C92 H72 Fe N6 O2 P2 -
Comments: Nishi, Miki; Matsuda, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Crystal structure of bis(tetraphenylphosphonium) bis(cyanido-κC)(29H,31H-tetrabenzo[b,g,l,q]porphinato-κ4N29,N30,N31,N32)ferrate(II) acetone disolvate Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) m48
Space group: P -1
Cell volume: 1767.88
Cell parameters: 11.8412; 12.7764; 13.8298; 67.217; 66.915; 85.51;  

COD ID: 2019832
CIF file

HKL data

Formula: - C64 H64 Cl Fe N8 O4 -
Comments: Awasabisah, Dennis; Powell, Douglas R.; Richter-Addo, George B. Crystal structure of chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ4N}iron(III) Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) m42
Space group: P 1 21/n 1
Cell volume: 5913.8
Cell parameters: 17.763; 17.652; 20.145; 90; 110.57; 90;  

COD ID: 2019833
CIF file

HKL data

Original IUCr paper

Formula: - C19 H29 N O4 S -
Comments: Benharref, Ahmed; Akssira, Mohamed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha Crystal structure of (1S,2R,4R,9S,11S,12R)-9α-hydroxy-4,8-dimethyl-12-[(thiomorpholin-4-yl)methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o140
Space group: P 1 21 1
Cell volume: 962.9
Cell parameters: 11.92; 6.7919; 12.144; 90; 101.659; 90;  

COD ID: 2019834
CIF file

HKL data

Original IUCr paper

Formula: - C9 H10 Ag N O3 -
Comments: Yousaf, Aqsa; Tahir, Muhammad Nawaz; Rauf, Abdul; Awan, Shafique Ahmad; Ahmad, Saeed Crystal structure ofcatena-poly[silver(I)-μ-L-tyrosinato-κ2O:N] Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m50
Space group: P 1 21 1
Cell volume: 473.64
Cell parameters: 7.2944; 7.1464; 9.2736; 90; 101.546; 90;  

COD ID: 2019835
CIF file

HKL data

Original IUCr paper

Formula: - C11 H15 N O4 Sn -
Comments: Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Raza, Muhammad Asam; Ashfaq, Muhammad Crystal structure ofcatena-poly[[trimethyltin(IV)]-μ-2-(2-nitrophenyl)acetato-κ2O:O′] Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m52
Space group: C 1 2/c 1
Cell volume: 2818.25
Cell parameters: 12.6068; 9.9798; 22.7581; 90; 100.174; 90;  

COD ID: 2019836
CIF file

HKL data

Original IUCr paper

Formula: - C26 H33 N O2 -
Comments: Zhou, Shengjun; Huang, Huaqi; Huang, Rongbin Crystal structure of (3S)-3-acetoxy-17-(pyridin-3-yl)androsta-5,16-diene Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o146
Space group: P 21 21 21
Cell volume: 2208.8
Cell parameters: 7.518; 9.7274; 30.2035; 90; 90; 90;  

COD ID: 2019837
CIF file

HKL data

Original IUCr paper

Formula: - C23 H22 N2 O4 S -
Comments: Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A. Crystal structure of ethyl 1′,1′′-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o142
Space group: C 1 2/c 1
Cell volume: 4229
Cell parameters: 23.7049; 8.2632; 22.1003; 90; 102.337; 90;  

COD ID: 2019838
CIF file

HKL data

Original IUCr paper

Formula: - C18 H21 N O4 S -
Comments: Danish, Muhammad; Tahir, Muhammad Nawaz; Hussain, Asif; Ashfaq, Muhammad; Sadiq, Muhammad Nadeem Crystal structure of 4-{[(naphthalen-2-yl)sulfonylamino]methyl}cyclohexanecarboxylic acid Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o145
Space group: P 1 21/c 1
Cell volume: 1672.3
Cell parameters: 16.5301; 6.0573; 17.0036; 90; 100.81; 90;  

COD ID: 2019839
CIF file

HKL data

Original IUCr paper

Formula: - C16 H17 N O2 -
Comments: Aslantaş, Mehmet; Çelik, Cumali; Çelik, Ömer; Karayel, Arzu Crystal structure ofrac-3-hydroxy-2-(p-tolyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-1-one Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o143
Space group: P 1 21/c 1
Cell volume: 1325.22
Cell parameters: 6.5067; 9.7385; 21.078; 90; 97.154; 90;  

COD ID: 2019844
CIF file

HKL data

Original IUCr paper

Formula: - C29 H20 N2 -
Comments: Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V. Crystal structure ofN1-phenyl-N4-[(E)-(pyren-1-yl)methylidene]benzene-1,4-diamine Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) 261
Space group: P 1 21/c 1
Cell volume: 1969.34
Cell parameters: 13.0433; 12.27; 13.4981; 90; 114.269; 90;  

COD ID: 2019845
CIF file

HKL data

Original IUCr paper

Formula: - C18 H38 N4 O18 Zn2 -
Comments: Liu, Huan; Lu, Li-Ping Crystal structure of diaqua(μ2-triethylenetetraminehexaacetato)dizinc tetrahydrate Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m55
Space group: P -1
Cell volume: 686.2
Cell parameters: 7.133; 8.7013; 11.979; 103.969; 101.052; 100.882;  

COD ID: 2019846
CIF file

HKL data

Original IUCr paper

Formula: - C23 H22 N2 O4 S -
Comments: Raja, R.; Govindaraj, J.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A. Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o152
Space group: P 1 2/n 1
Cell volume: 4226
Cell parameters: 16.311; 11.103; 23.585; 90; 98.354; 90;  

COD ID: 2019847
CIF file

HKL data

Original IUCr paper

Formula: - C23 H27 Cl3 N3 Rh -
Comments: Devika, Neelakandan; Raja, Nandhagopal; Ananthalakshmi, Subbiah; Therrien, Bruno Crystal structure of chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κN]ethyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)rhodium(III) chloride Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) 248
Space group: P b c a
Cell volume: 4665.1
Cell parameters: 13.0774; 13.4537; 26.5153; 90; 90; 90;  

COD ID: 2019848
CIF file

HKL data

Formula: - C39 H53 Cu N5 P Si -
Comments: Li, Feiguang; Yan, Lei; Tong, Hongbo; Zhou, Meisu Crystal structure of [1-(2,6-diisopropylphenyl)-2,4-bis(dimethylamino)-5-trimethylsilyl-1,3,5-triazapentadienyl-κ2N1,N5](triphenylphosphane-κP)copper(I) Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m54
Space group: P -1
Cell volume: 1974.9
Cell parameters: 9.7935; 11.2141; 19.57; 103.601; 90.867; 108.24;  

COD ID: 2019849
CIF file

HKL data

Original IUCr paper

Formula: - C22 H18 N4 O S -
Comments: Vimala, G.; Haribabu, J.; Karvembu, R.; Kumar, B. V. N. Phani; SubbiahPandi, A. Crystal structure of (Z)-2-(1-benzyl-2-oxoindolin-3-ylidene)-N-phenylhydrazine-1-carbothioamide Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o160
Space group: P -1
Cell volume: 3813.91
Cell parameters: 11.2426; 11.4899; 30.372; 79.121; 88.628; 81.85;  

COD ID: 2019850
CIF file

HKL data

Formula: - C15 H8 O2 S -
Comments: Caracelli, Ignez; Maganhi, Stella H.; Stefani, Hélio A.; Gueogjian, Karina; Tiekink, Edward R. T. Crystal structure of 3-[2-(thiophen-3-yl)ethynyl]-2H-chromen-2-one Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o154
Space group: P 1 21/c 1
Cell volume: 1157.77
Cell parameters: 10.7726; 9.7572; 12.2084; 90; 115.547; 90;  

COD ID: 2019851
CIF file

HKL data

Original IUCr paper

Formula: - C20 H16 N2 O5 -
Comments: Govindaraj, J.; AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A. Crystal structure of 2-methylamino-3-nitro-4-p-tolylpyrano[3,2-c]chromen-5(4H)-one Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o158
Space group: P 1 21/n 1
Cell volume: 1664.5
Cell parameters: 10.8336; 11.7927; 13.7275; 90; 108.357; 90;  

COD ID: 2019852
CIF file

HKL data

Original IUCr paper

Formula: - C20 H37 N3 O4 -
Comments: Czerwinski, Andrzej; Basava, Channa; Dauter, Miroslawa; Dauter, Zbigniew Crystal structure ofN-{N-[N-acetyl-(S)-leucyl]-(S)-leucyl}norleucinal (ALLN), an inhibitor of proteasome Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) 254
Space group: P 1 21 1
Cell volume: 1151.5
Cell parameters: 10.85; 9.51; 11.2; 90; 94.85; 90;  

COD ID: 2019853
CIF file

HKL data

Formula: - C25 H24 N2 O2 -
Comments: Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael Crystal structure of 1,1′-[imidazolidine-1,3-diylbis(methylene)]bis(naphthalen-2-ol) Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) 258
Space group: C 1 2/c 1
Cell volume: 1918.6
Cell parameters: 34.883; 8.3956; 6.583; 90; 95.65; 90;  

COD ID: 2019854
CIF file

HKL data

Original IUCr paper

Formula: - C23 H20 N2 O4 S2 -
Comments: Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A. Crystal structure of ethyl 2′′,3-dioxo-7′,7a'-dihydro-1′H,3H,3′H-dispiro[benzo[b]thiophene-2,6′-pyrrolo[1,2-c]thiazole-5′,3′′-indoline]-7′-carboxylate Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o148
Space group: P 1 21/c 1
Cell volume: 2105.91
Cell parameters: 11.8894; 10.2181; 17.5044; 90; 97.991; 90;  

COD ID: 2019855
CIF file

HKL data

Original IUCr paper

Formula: - C25 H23 F N2 O4 S -
Comments: Raja, R.; Govindaraj, J.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A. Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a'-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o156
Space group: P 1 21/c 1
Cell volume: 2280.5
Cell parameters: 13.877; 11.8999; 15.426; 90; 116.463; 90;  

COD ID: 2019856
CIF file

HKL data

Original IUCr paper

Formula: - Co0.293 K0.845 O12 P3 Rb0.743 Ti1.707 -
Comments: Strutynska, Nataliia Yu.; Bondarenko, Marina A.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S. Crystal structure of langbeinite-related Rb0.743K0.845Co0.293Ti1.707(PO4)3 Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) 251
Space group: P 21 3
Cell volume: 956.458
Cell parameters: 9.8527; 9.8527; 9.8527; 90; 90; 90;  

COD ID: 2019857
CIF file

HKL data

Original IUCr paper

Formula: - C27 H24 N2 O3 -
Comments: Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A. Crystal structure of 15-(naphthalen-1-yl)-7,7a,8,9,10,11-hexahydro-6a,12a-(methanoepoxymethano)indolizino[2,3-c]quinoline-6,13(5H)-dione Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o150
Space group: P -1
Cell volume: 1082.87
Cell parameters: 9.4184; 9.8804; 12.5401; 95.341; 107.535; 99.94;  

COD ID: 2019858
CIF file

HKL data

Formula: - C15 H22 O3 -
Comments: Beghidja, Noureddine; Benayache, Samir; Benayache, Fadila; Knight, David W.; Kariuki, Benson M. Crystal structure of pseudoguainolide Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o162
Space group: P 21 21 21
Cell volume: 1357.65
Cell parameters: 7.432; 11.9278; 15.3152; 90; 90; 90;  

COD ID: 2019859
CIF file

HKL data

Original IUCr paper

Formula: - C31 H34 Cu N3 P2 S2 -
Comments: Wattanakanjana, Yupa; Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ2P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I) Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m61
Space group: P 1 21 1
Cell volume: 3060.4
Cell parameters: 9.9727; 31.971; 10.2162; 90; 110.022; 90;  

COD ID: 2019860
CIF file

HKL data

Original IUCr paper

Formula: - C16 H20 Co N2 O12 -
Comments: Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Raza, Muhammad Asam; Ashfaq, Muhammad Tetraaquabis[2-(2-nitrophenyl)acetato-κO]cobalt(II) Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m59
Space group: P 1 21/n 1
Cell volume: 998.96
Cell parameters: 5.4431; 6.4313; 28.5697; 90; 92.762; 90;  

COD ID: 2019861
CIF file

HKL data

Formula: - C30 H42 N4 Pd S4 -
Comments: Begum, M. Sabina; Howlader, M. Belayet Hossain; Sheikh, M. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio Crystal structure of bis[S-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ2N3,S]palladium(II) Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m63
Space group: C 1 2 1
Cell volume: 1638.37
Cell parameters: 18.3559; 9.6747; 10.3368; 90; 116.81; 90;  

COD ID: 2019862
CIF file

HKL data

Original IUCr paper

Formula: - C15 H11 Cl2 N O S -
Comments: Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J. Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) 264
Space group: P -1
Cell volume: 704.2
Cell parameters: 8.019; 9.562; 9.984; 88.937; 76.254; 71.586;  

COD ID: 2019863
CIF file

Original IUCr paper

Formula: - C15 H11 Cl2 N O2 S -
Comments: Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J. Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) 264
Space group: P b c a
Cell volume: 3117.4
Cell parameters: 7.1094; 20.94; 20.94; 90; 90; 90;  

COD ID: 2019864
CIF file

HKL data

Formula: - C60 H52 Fe N12 -
Comments: Guan, Ye; Powell, Douglas R.; Richter-Addo, George B. Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II)‒1-methyl-1H-imidazole (1/2) Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m57
Space group: P -1
Cell volume: 1220.03
Cell parameters: 9.3108; 10.1943; 13.4745; 81.557; 79.143; 77.797;  

COD ID: 2019884
CIF file

HKL data

Original IUCr paper

Formula: - C40 H30 F12 Mn N8 O P2 -
Comments: Lourenço, Leandro M. O.; Almeida Paz, Filipe A.; Fernandes, José A. Crystal structures of the water and acetone monosolvates of bis[4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine]manganese(II) bis(hexafluoridophosphate) Acta Crystallographica Section E Crystallographic Communications 71(4) (2015) 330
Space group: P 1 21/c 1
Cell volume: 4071.5
Cell parameters: 16.2389; 15.3506; 16.5549; 90; 99.3892; 90;  

COD ID: 2019885
CIF file

HKL data

Formula: - C43 H34 F12 Mn N8 O P2 -
Comments: Lourenço, Leandro M. O.; Almeida Paz, Filipe A.; Fernandes, José A. Crystal structures of the water and acetone monosolvates of bis[4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine]manganese(II) bis(hexafluoridophosphate) Acta Crystallographica Section E Crystallographic Communications 71(4) (2015) 330
Space group: C 2 2 21
Cell volume: 4262.7
Cell parameters: 18.0996; 27.47; 8.5734; 90; 90; 90;  

COD ID: 2019920
CIF file

HKL data

Original IUCr paper

Formula: - Cr Mo6 Na9 O24 -
Comments: Dridi, Wassim; Ennajeh, Ines; Zid, Mohamed Faouzi Synthèse et étude structurale de Na9Cr(MoO4)6 Acta Crystallographica Section E Crystallographic Communications 71(5) (2015) 435
Space group: R -3 c :H
Cell volume: 3592
Cell parameters: 14.707; 14.707; 19.175; 90; 90; 120;  

COD ID: 2019951
CIF file

HKL data

Original IUCr paper

Formula: - C14 H13 N O2 -
Comments: Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Chantrapromma, Kan; Ghabbour, Hazem A.; Fun, Hoong-Kun Crystal structure of (E)-2-hydroxy-4′-methoxyazastilbene Acta Crystallographica Section E Crystallographic Communications 71(6) (2015) 571
Space group: P 1 c 1
Cell volume: 563.52
Cell parameters: 8.0357; 5.5554; 12.8733; 90; 101.312; 90;  

COD ID: 2019956
CIF file

HKL data

Original IUCr paper

Formula: - C15 H13 N S -
Comments: Sandhya, N. C.; Chandra,; Suresha, G. P.; Lokanath, N. K.; Mahendra, M. Crystal structure of 2-(4-methylphenyl)-4H-1,3-benzothiazine Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o74
Space group: P 1 21/c 1
Cell volume: 1221.36
Cell parameters: 15.1241; 6.0111; 14.3212; 90; 110.268; 90;  

COD ID: 2019957
CIF file

HKL data

Original IUCr paper

Formula: - C20 H16 Br N O2 -
Comments: Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K. Crystal structure of ethyl 6-bromo-2-[(E)-2-phenylethenyl]quinoline-4-carboxylate Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o121
Space group: P b c a
Cell volume: 3299.6
Cell parameters: 14.0819; 9.747; 24.0399; 90; 90; 90;  

COD ID: 2019958
CIF file

HKL data

Original IUCr paper

Formula: - C21 H15 N O3 -
Comments: Shanthi, D.; Vidhyasagar, T.; Rajeswari, K.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A. Crystal structure of (E)-1-([1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o119
Space group: C 1 2/c 1
Cell volume: 3209.4
Cell parameters: 17.6546; 6.1464; 30.0234; 90; 99.899; 90;  

COD ID: 2019959
CIF file

HKL data

Original IUCr paper

Formula: - C30 H25 Cl N2 O5 S -
Comments: Çelik, Ísmail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Rad, Javad Ameri; Çelik, Ömer Crystal structure of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]benzo[de]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o129
Space group: P -1
Cell volume: 1345.67
Cell parameters: 7.9925; 12.1761; 14.2313; 93.549; 95.52; 101.602;  

COD ID: 2019960
CIF file

HKL data

Original IUCr paper

Formula: - C25 H22 N2 O3 -
Comments: Jasinski, Jerry P.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R. Crystal structure of 4-[1-(2-hydroxypropyl)-4,5-diphenyl-1H-imidazol-2-yl]benzoic acid Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o77
Space group: P -1
Cell volume: 1019.03
Cell parameters: 6.871; 10.7188; 14.9178; 103.569; 93.094; 105.878;  

COD ID: 2019961
CIF file

HKL data

Original IUCr paper

Formula: - C13 H10 N2 O3 -
Comments: Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Ebrahimi, Edris; Büyükgüngör, Orhan Crystal structure of 4-[(E)-(4-nitrobenzylidene)amino]phenol Acta Crystallographica Section E Crystallographic Communications 71(2) (2015) o113
Space group: P -1
Cell volume: 2282.6
Cell parameters: 12.3449; 13.4266; 15.7404; 72.926; 67.39; 76.824;  

COD ID: 2019971
CIF file

HKL data

Original IUCr paper

Formula: - C13 H12 Br N3 O3 -
Comments: Sravya, S.; Sruthy, S.; Aiswarya, N.; Sithambaresan, M.; Kurup, M. R. Prathapachandra Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate Acta Crystallographica Section E Crystallographic Communications 71(7) (2015) 734
Space group: P 1 21/c 1
Cell volume: 1362.28
Cell parameters: 8.1623; 12.5953; 13.251; 90; 90.226; 90;  

COD ID: 2020017
CIF file

HKL data

Original IUCr paper

Formula: - C56 H45 F18 Ir N13 P3 -
Comments: Coe, Benjamin J.; Peers, Martyn K.; Raftery, James; Scrutton, Nigel S. Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ2N1′,N1′′]bis[2-(pyridin-2-yl)phenyl-κ2N,C1]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate Acta Crystallographica Section E Crystallographic Communications 71(8) (2015) 879
Space group: C 1 c 1
Cell volume: 5918.9
Cell parameters: 22.2647; 14.6139; 18.6288; 90; 102.447; 90;  

COD ID: 2020085
CIF file

HKL data

Original IUCr paper

Formula: - C12 H12 Cl4 O2 -
Comments: Turan Akın, Esra; Hökelek, Tuncer Crystal structure of 6,6,12,12-tetrachlorotricyclo[8.2.0.04,7]dodecane-5,11-dione Acta Crystallographica Section E Crystallographic Communications 71(9) (2015) 1000
Space group: P 1 21/c 1
Cell volume: 2802.43
Cell parameters: 10.9786; 10.9374; 23.5429; 90; 97.554; 90;  

COD ID: 2020127
CIF file

HKL data

Formula: - C12 H21 N O -
Comments: Stepanovs, Dmitrijs; Posevins, Daniels; Turks, Maris Crystal structures of two (±)-exo-N-isobornylacetamides Acta Crystallographica Section E Crystallographic Communications 71(10) (2015) 1117
Space group: P 1 21/n 1
Cell volume: 2391.49
Cell parameters: 9.682; 10.654; 23.3676; 90; 97.184; 90;  

COD ID: 2020128
CIF file

HKL data

Formula: - C12 H20 Cl N O -
Comments: Stepanovs, Dmitrijs; Posevins, Daniels; Turks, Maris Crystal structures of two (±)-exo-N-isobornylacetamides Acta Crystallographica Section E Crystallographic Communications 71(10) (2015) 1117
Space group: P c a b
Cell volume: 2472.31
Cell parameters: 9.6852; 10.7589; 23.7261; 90; 90; 90;  

COD ID: 2020282
CIF file

HKL data

Original IUCr paper

Formula: - C14 H9 Cl N2 O3 -
Comments: Raja, Rajamani; Poomathi, Nataraj; Perumal, Paramasivam T.; SubbiahPandi, A. Crystal structure of (5-chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone Acta Crystallographica Section E Crystallographic Communications 71(11) (2015) o875
Space group: P 1 21/c 1
Cell volume: 1277.78
Cell parameters: 11.0317; 11.8701; 11.122; 90; 118.675; 90;  

COD ID: 2020285
CIF file

HKL data

Original IUCr paper

Formula: - C44 H44 N2 O8 -
Comments: Honkeldieva, Muhabbat T.; Talipov, Samat A.; Kunafiev, Rishad; Ibragimov, Bakhtiyar T. Crystal structure of bis-p-anizidinegossypol with an unknown solvate Acta Crystallographica Section E Crystallographic Communications 71(12) (2015) 1421
Space group: P -1
Cell volume: 2462
Cell parameters: 11.6622; 14.0738; 15.6906; 82.472; 84.831; 75.009;  

COD ID: 2020308
CIF file

HKL data

Original IUCr paper

Formula: - C5 H14 Cd Cl3 N3 -
Comments: Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry Crystal structure of <i>catena</i>-poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium [(chloridocadmate)-di-μ-chlorido]] Acta Crystallographica Section E 72(1) (2016) 1-3
Space group: C 1 2/c 1
Cell volume: 2245.69
Cell parameters: 15.1305; 14.2921; 11.6939; 90; 117.37; 90;  

COD ID: 2020316
CIF file

HKL data

Original IUCr paper

Formula: - C20 H16 Cl2 N2 O3 -
Comments: Kwon, Eunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho Crystal structure of pyrazoxyfen Acta Crystallographica Section E Crystallographic Communications 71(12) (2015) o1033
Space group: P -1
Cell volume: 1883.5
Cell parameters: 7.827; 15.534; 15.886; 88.82; 89.093; 77.266;  

COD ID: 2020387
CIF file

HKL data

Formula: - C15 H16 N6 O8 U -
Comments: Vashchenko, Oleksandr; Raspertova, Ilona; Dyakonenko, Viktoriya; Shishkina, Svitlana; Khomenko, Dmytro; Doroschuk, Roman; Lampeka, Rostislav Crystal structure of aqua(nitrato-κ<i>O</i>)dioxido{2-[3-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-1,2,4-triazol-5-yl-κ<i>N</i>^4^]phenolato-κ<i>O</i>}uranium(VI) acetonitrile monosolvate monohydrate Acta Crystallographica Section E 72(2) (2016) 111-113
Space group: P 1 21/c 1
Cell volume: 1937.58
Cell parameters: 12.0962; 7.87839; 20.4041; 90; 94.829; 90;  

COD ID: 2020412
CIF file

HKL data

Original IUCr paper

Formula: - C12 H30 N4 O5 S2 -
Comments: Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Maris, Thierry Crystal structure of bis(1,4-diazabicyclo[2.2.2]octan-1-ium) thiosulfate dihydrate Acta Crystallographica Section E 72(3) (2016) 273-275
Space group: P -1
Cell volume: 867.59
Cell parameters: 6.5063; 10.5966; 13.2066; 105.951; 92.065; 96.55;  

COD ID: 2020428
CIF file

HKL data

Original IUCr paper

Formula: - C13 H10 F N O3 S -
Comments: Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Lakshmikantha, H. N.; Srivishnu, K. S.; Supriya, G. M. Crystal structures of <i>N</i>-(3-fluorobenzoyl)benzenesulfonamide and <i>N</i>-(3-fluorobenzoyl)-4-methylbenzenesulfonamide Acta Crystallographica Section E 72(4) (2016) 428-431
Space group: C 1 2/c 1
Cell volume: 2411.9
Cell parameters: 21.4036; 5.7673; 19.5525; 90; 92.135; 90;  

COD ID: 2020429
CIF file

HKL data

Original IUCr paper

Formula: - C14 H12 F N O3 S -
Comments: Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Lakshmikantha, H. N.; Srivishnu, K. S.; Supriya, G. M. Crystal structures of <i>N</i>-(3-fluorobenzoyl)benzenesulfonamide and <i>N</i>-(3-fluorobenzoyl)-4-methylbenzenesulfonamide Acta Crystallographica Section E 72(4) (2016) 428-431
Space group: P 1 21/c 1
Cell volume: 1301.7
Cell parameters: 9.0376; 12.2912; 12.1377; 90; 105.107; 90;  

COD ID: 2020453
CIF file

HKL data

Original IUCr paper

Formula: - C19 H17 N -
Comments: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group Acta Crystallographica Section E Crystallographic Communications 72(4) (2016) 583
Space group: P 1 21 1
Cell volume: 2978.45
Cell parameters: 14.9328; 6.01143; 33.9985; 90; 102.601; 90;  

COD ID: 2020454
CIF file

HKL data

Original IUCr paper

Formula: - C20 H19 N -
Comments: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group Acta Crystallographica Section E Crystallographic Communications 72(4) (2016) 583
Space group: P 21 21 21
Cell volume: 1571.4
Cell parameters: 6.0946; 7.5732; 34.046; 90; 90; 90;  

COD ID: 2020455
CIF file

HKL data

Original IUCr paper

Formula: - C20 H19 N O -
Comments: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group Acta Crystallographica Section E Crystallographic Communications 72(4) (2016) 583
Space group: P 21 21 21
Cell volume: 1615.6
Cell parameters: 6.1094; 7.7266; 34.225; 90; 90; 90;  

COD ID: 2020456
CIF file

HKL data

Original IUCr paper

Formula: - C19 H16 F N -
Comments: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group Acta Crystallographica Section E Crystallographic Communications 72(4) (2016) 583
Space group: P 1 21 1
Cell volume: 751.3
Cell parameters: 7.595; 5.8997; 16.996; 90; 99.42; 90;  

COD ID: 2020457
CIF file

HKL data

Original IUCr paper

Formula: - C19 H16 Cl N -
Comments: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group Acta Crystallographica Section E Crystallographic Communications 72(4) (2016) 583
Space group: P 21 21 21
Cell volume: 1561.1
Cell parameters: 6.0567; 7.6139; 33.853; 90; 90; 90;  

COD ID: 2020458
CIF file

HKL data

Original IUCr paper

Formula: - C19 H16 Br N -
Comments: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group Acta Crystallographica Section E Crystallographic Communications 72(4) (2016) 583
Space group: P 21 21 21
Cell volume: 1576.46
Cell parameters: 6.0526; 7.6671; 33.9712; 90; 90; 90;  

COD ID: 2020459
CIF file

HKL data

Original IUCr paper

Formula: - C23 H19 N -
Comments: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group Acta Crystallographica Section E Crystallographic Communications 72(4) (2016) 583
Space group: P 1 21 1
Cell volume: 856.01
Cell parameters: 7.8555; 7.8724; 14.0494; 90; 99.859; 90;  

COD ID: 2020460
CIF file

HKL data

Original IUCr paper

Formula: - C19 H23 N -
Comments: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group Acta Crystallographica Section E Crystallographic Communications 72(4) (2016) 583
Space group: P 1 21 1
Cell volume: 3239.4
Cell parameters: 15.406; 5.9722; 36.002; 90; 102.058; 90;  

COD ID: 2020461
CIF file

HKL data

Original IUCr paper

Formula: - C21 H19 N -
Comments: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group Acta Crystallographica Section E Crystallographic Communications 72(4) (2016) 583
Space group: P 1 21 1
Cell volume: 818.1
Cell parameters: 7.7571; 5.9246; 17.82; 90; 92.682; 90;  

COD ID: 2020462
CIF file

HKL data

Original IUCr paper

Formula: - C21 H25 N -
Comments: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group Acta Crystallographica Section E Crystallographic Communications 72(4) (2016) 583
Space group: P 21 21 21
Cell volume: 1695.17
Cell parameters: 6.32427; 14.4559; 18.5421; 90; 90; 90;  

COD ID: 2020463
CIF file

HKL data

Original IUCr paper

Formula: - C6 H9 Cl N2 O3 -
Comments: Plater, M. John; Harrison, William T. A. A purple odyssey: synthesis and structure of 3-amino-4-hydroxy-6-oxocyclohexa-2,4-dien-1-iminium chloride monohydrate Acta Crystallographica Section E 72(5) (2016) 604-607
Space group: P 1 21/c 1
Cell volume: 840.15
Cell parameters: 6.307; 14.9614; 8.9198; 90; 93.457; 90;  

COD ID: 2020500
CIF file

HKL data

Original IUCr paper

Formula: - C10 H9 N5 O7 -
Comments: Song, Xue-gang; Su, Ping; Xu, Xing-man Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate Acta Crystallographica Section E Crystallographic Communications 72(6) (2016) 772
Space group: P 1 21/c 1
Cell volume: 1270.1
Cell parameters: 9.3079; 9.4339; 15.195; 90; 107.835; 90;  

COD ID: 2020523
CIF file

HKL data

Original IUCr paper

Formula: - C2 H12 Ag2 N6 S2 -
Comments: Müller, Thomas G.; Kraus, Florian Crystal structure of Ag~2~(μ-SCN)~2~(NH~3~)~4~ Acta Crystallographica Section E 72(7) (2016) 881-883
Space group: C 1 2/c 1
Cell volume: 1115.47
Cell parameters: 12.8263; 7.1879; 12.2478; 90; 98.936; 90;  

COD ID: 2020548
CIF file

HKL data

Original IUCr paper

Formula: - C36 H64 Cl6 Cu6 N18 O20 S2 -
Comments: Mezei, Gellert Sulfate-bridged dimeric trinuclear copper(II)‒pyrazolate complex with three different terminal ligands Acta Crystallographica Section E Crystallographic Communications 72(8) (2016) 1064
Space group: P 1 21/n 1
Cell volume: 3296.05
Cell parameters: 12.7038; 16.5265; 16.683; 90; 109.774; 90;  

COD ID: 2020595
CIF file

HKL data

Formula: - C11.5 H11.5 Cl3.5 Hg N3 -
Comments: Moon, Suk-Hee; Kang, Donghyun; Park, Ki-Min Crystal structure of an Hg^II^ coordination polymer with an unsymmetrical dipyridyl ligand: <i>catena</i>-poly[[[dichloridomercury(II)]-μ-<i>N</i>-(pyridin-4-ylmethyl)pyridin-3-amine-κ^2^<i>N</i>:<i>N</i>'] chloroform hemisolvate] Acta Crystallographica Section E 72(11) (2016) 1513-1516
Space group: C 1 2/c 1
Cell volume: 3210.2
Cell parameters: 16.6906; 9.1942; 21.0159; 90; 95.501; 90;  

COD ID: 2020650
CIF file

HKL data

Original IUCr paper

Formula: - C14 H13 N3 O3 S -
Comments: Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A. Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides Acta Crystallographica Section E 72(12) (2016) 1677-1682
Space group: P 1 21/c 1
Cell volume: 1389.86
Cell parameters: 7.3989; 24.491; 7.7126; 90; 96.022; 90;  

COD ID: 2020651
CIF file

HKL data

Original IUCr paper

Formula: - C14 H13 N3 O3 S -
Comments: Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A. Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides Acta Crystallographica Section E 72(12) (2016) 1677-1682
Space group: P 1 21/n 1
Cell volume: 1355.34
Cell parameters: 5.6629; 15.6864; 15.2842; 90; 93.38; 90;  

COD ID: 2020652
CIF file

HKL data

Original IUCr paper

Formula: - C14 H13 N3 O3 S -
Comments: Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A. Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides Acta Crystallographica Section E 72(12) (2016) 1677-1682
Space group: P -1
Cell volume: 1378.77
Cell parameters: 6.1893; 12.9177; 17.3828; 93.995; 90.386; 95.963;  

COD ID: 2020683
CIF file

HKL data

Original IUCr paper

Formula: - C21 H18 Br2 N4 O3 -
Comments: Wang, Bang Zhong; Zhou, Jun Ping; Zhou, Yong; Luo, Jian Song; Yang, Jun Jie; Chi, Shao M.ing Crystal structure of <i>N</i>-(7-dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1) Acta Crystallographica Section E 73(1) (2017) 1-3
Space group: P 1 21/c 1
Cell volume: 2102.8
Cell parameters: 9.6931; 15.699; 14.614; 90; 108.99; 90;  

COD ID: 2020703
CIF file

HKL data

Formula: - C21 H26 N4 O5 -
Comments: Faizi, Md. Serajul Haque; Dege, Necmi; Haque, Ashanul; Kalibabchuk, Valentina A.; Cemberci, Mustafa Crystal structure of (E)-2,6-di-tert-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol Acta Crystallographica Section E Crystallographic Communications 73(2) (2017) 96
Space group: P n m a
Cell volume: 2240.9
Cell parameters: 18.7651; 6.9193; 17.259; 90; 90; 90;  

COD ID: 2020739
CIF file

HKL data

Original IUCr paper

Formula: - C26 H20 Fe N10 O2 S2 -
Comments: Jochim, Aleksej; Jess, Inke; Näther, Christian Crystal structure of diaquabis(4-cyanopyridine-κN)bis(thiocyanato-κN)iron(II) 4-cyanopyridine disolvate Acta Crystallographica Section E Crystallographic Communications 73(4) (2017) 463
Space group: P 1 21/c 1
Cell volume: 1565.88
Cell parameters: 8.5376; 15.22; 12.1214; 90; 96.195; 90;  

COD ID: 2020828
CIF file

HKL data

Formula: - C18 H20 N6 O4 -
Comments: Cati, Dilovan S.; Stoeckli-Evans, Helen Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer Acta Crystallographica Section E Crystallographic Communications 73(6) (2017) 798
Space group: P 1 c 1
Cell volume: 924.5
Cell parameters: 4.3677; 14.0232; 15.1816; 90; 96.153; 90;  

COD ID: 2020829
CIF file

HKL data

Formula: - C18 H16 Ag N7 O5 -
Comments: Cati, Dilovan S.; Stoeckli-Evans, Helen Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer Acta Crystallographica Section E Crystallographic Communications 73(6) (2017) 798
Space group: F d d d
Cell volume: 7672.1
Cell parameters: 14.9776; 17.3228; 29.57; 90; 90; 90;  

COD ID: 2020830
CIF file

HKL data

Formula: - C13 H9 Br N2 O5 S -
Comments: Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M. Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide Acta Crystallographica Section E Crystallographic Communications 73(3) (2017) 314
Space group: P 1 21/n 1
Cell volume: 2882.96
Cell parameters: 8.0209; 14.5364; 25.0008; 90; 98.499; 90;  

COD ID: 2020831
CIF file

HKL data

Formula: - C13 H9 Br N2 O5 S -
Comments: Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M. Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide Acta Crystallographica Section E Crystallographic Communications 73(3) (2017) 314
Space group: P b c a
Cell volume: 2750.9
Cell parameters: 9.6085; 10.3246; 27.7296; 90; 90; 90;  

COD ID: 2020839
CIF file

HKL data

Original IUCr paper

Formula: - C17 H17 Cl4 N5 O2 S -
Comments: Riyadh, Sayed; Hughes, David L.; Said, Musa A. Crystal structure of a 1,1,2,2-tetrachloroethane-solvated hydrazinecarbothioamide compound Acta Crystallographica Section E Crystallographic Communications 73(9) (2017) 1271
Space group: P 1 21/c 1
Cell volume: 2104.02
Cell parameters: 5.9124; 17.6155; 20.3351; 90; 96.563; 90;  

COD ID: 2020877
CIF file

HKL data

Original IUCr paper

Formula: - C36 H32 N14 O6 Zn -
Comments: Liu, Fuhong; Ding, Yan; Li, Qiuyu; Zhang, Liping A two-dimensional Zn coordination polymer with a three-dimensional supramolecular architecture Acta Crystallographica Section E Crystallographic Communications 73(10) (2017) 1402
Space group: P -1
Cell volume: 935.4
Cell parameters: 7.3257; 9.0188; 15.578; 81.7; 77.64; 68.9;  

COD ID: 2020896
CIF file

HKL data

Formula: - C29 H37 Lu O2 -
Comments: Saliu, Kuburat O.; Takats, Josef; McDonald, Robert Crystal structure of tribenzylbis(tetrahydrofuran-κO)lutetium(III) Acta Crystallographica Section E Crystallographic Communications 74(2) (2018) 88
Space group: P -1
Cell volume: 1280.16
Cell parameters: 7.7103; 12.7416; 14.2187; 75.1572; 77.8324; 73.4904;  

COD ID: 2020997
CIF file

HKL data

Original IUCr paper

Formula: - C17 H20 N5 O3.5 -
Comments: Ardhapure, Ajaykumar V.; Sanghvi, Yogesh S.; Borozdina, Yulia; Kapdi, Anant Ramakant; Schulzke, Carola Crystal structure of 8-(4-methylphenyl)-2'-deoxyadenosine hemihydrate Acta Crystallographica Section E 74(1) (2018) 1-5
Space group: P 1
Cell volume: 839
Cell parameters: 7.3991; 10.637; 11.931; 93.65; 107.37; 108.11;  

COD ID: 2021001
CIF file

HKL data

Formula: - C28 H28 N2 O2 -
Comments: Im, Hansu; Kim, Jineun; Sim, Changeun; Kim, Tae Ho Crystal structure of N,N′-dibenzyl-3,3′-dimethoxybenzidine Acta Crystallographica Section E Crystallographic Communications 74(3) (2018) 271
Space group: P -1
Cell volume: 539.32
Cell parameters: 4.7089; 9.676; 12.1952; 93.387; 92.165; 103.18;  

COD ID: 2021116
CIF file

HKL data

Original IUCr paper

Formula: - As2 Fe H2 O8 Rb -
Comments: Schwendtner, Karolina; Kolitsch, Uwe RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types Acta Crystallographica Section E Crystallographic Communications 74(6) (2018) 766
Space group: R -3 c :H
Cell volume: 3365.5
Cell parameters: 8.425; 8.425; 54.749; 90; 90; 120;  

COD ID: 2021117
CIF file

HKL data

Formula: - As2 Fe H2 O8 Tl -
Comments: Schwendtner, Karolina; Kolitsch, Uwe RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types Acta Crystallographica Section E Crystallographic Communications 74(6) (2018) 766
Space group: P -1
Cell volume: 538.6
Cell parameters: 7.346; 9.148; 9.662; 64.89; 70.51; 69.94;  

COD ID: 2021177
CIF file

HKL data

Original IUCr paper

Formula: - C20 H52 Cl4 N4 O4 -
Comments: Moon, Dohyun; Choi, Jong-Ha Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data Acta Crystallographica Section E Crystallographic Communications 74(8) (2018) 1039
Space group: P 1 21/n 1
Cell volume: 1419.5
Cell parameters: 7.545; 23.19; 8.337; 90; 103.32; 90;  

COD ID: 2021207
CIF file

HKL data

Original IUCr paper

Formula: - C12 H10 O2 Ru -
Comments: Anzaldo, Bertin; Sharma, Pankaj; Lara Ochoa, Francisco; Villamizar C., Claudia P.; Gutiérrez Pérez, René X-ray structure analysis of symmetrically substituted 1,1′-diformylruthenocene Acta Crystallographica Section E Crystallographic Communications 74(9) (2018) 1186
Space group: P 21 21 21
Cell volume: 1981.6
Cell parameters: 8.944; 10.797; 20.52; 90; 90; 90;  

COD ID: 2021225
CIF file

HKL data

Original IUCr paper

Formula: - C18 H23 F O5 -
Comments: Chandrashekharappa, Sandeep; Bairagi, Keshab M.; Mohan, Mahendra K.; Venugopala, Katharigatta N.; Nayak, Susanta K. Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]malonate Acta Crystallographica Section E 74(10) (2018) 1388-1391
Space group: P 1 21/n 1
Cell volume: 1702.4
Cell parameters: 7.3066; 11.5182; 20.2701; 90; 93.673; 90;  

COD ID: 2021246
CIF file

HKL data

Original IUCr paper

Formula: - C27 H32 Cd Cl2 Co N3 O7 -
Comments: Vassilyeva, Olga Yu.; Kasyanova, Katerina V.; Kokozay, Vladimir N.; Skelton, Brian W. Crystal structure of dichloridobis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}{2-methoxy-6-[(methylimino)methyl]phenolato}cadmium(II)cobalt(III) monohydrate Acta Crystallographica Section E Crystallographic Communications 74(11) (2018) 1532
Space group: P 1 21/n 1
Cell volume: 2923.1
Cell parameters: 9.4036; 21.1588; 15.0319; 90; 102.221; 90;  

COD ID: 2021414
CIF file

HKL data

Original IUCr paper

Formula: - C28 H22 O8 S2 -
Comments: Tan, Sang Loon; Tiekink, Edward R. T. A 1:2 co-crystal of 2,2′-dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study Acta Crystallographica Section E Crystallographic Communications 75(1) (2019) 1
Space group: C 1 2/c 1
Cell volume: 2476.55
Cell parameters: 8.2311; 13.322; 22.7038; 90; 95.864; 90;  

COD ID: 2021424
CIF file

HKL data

Original IUCr paper

Formula: - C54 H48 Cl Ir N2 P4 -
Comments: Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide Acta Crystallographica Section E Crystallographic Communications 75(1) (2019) 75
Space group: P 1 21/n 1
Cell volume: 4724.74
Cell parameters: 18.3264; 13.6459; 19.301; 90; 101.803; 90;  

COD ID: 2021425
CIF file

HKL data

Original IUCr paper

Formula: - C62 H55 Cl5 Ir N3 P4 -
Comments: Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide Acta Crystallographica Section E Crystallographic Communications 75(1) (2019) 75
Space group: P b c n
Cell volume: 12696.6
Cell parameters: 28.1283; 19.0989; 23.6339; 90; 90; 90;  

COD ID: 2021426
CIF file

HKL data

Original IUCr paper

Formula: - C60 H56 Cl Ir N4 O2 P4 -
Comments: Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide Acta Crystallographica Section E Crystallographic Communications 75(1) (2019) 75
Space group: P -1
Cell volume: 2655.76
Cell parameters: 11.1683; 12.7805; 20.0591; 98.475; 93.122; 109.336;  

COD ID: 2021433
CIF file

HKL data

Original IUCr paper

Formula: - C98 H94 N8 O16 -
Comments: Pinalli, Roberta; Trzciński, Jakub W.; Dalcanale, Enrico; Massera, Chiara A new, deep quinoxaline-based cavitand receptor for the complexation of benzene Acta Crystallographica Section E Crystallographic Communications 75(2) (2019) 103
Space group: C 1 2/c 1
Cell volume: 8103.6
Cell parameters: 19.173; 20.756; 21.771; 90; 110.718; 90;  

COD ID: 2021536
CIF file

HKL data

Original IUCr paper

Formula: - C62 H80 Gd2 N8 O16 -
Comments: Barbosa, Guilherme Augusto; Santana, Francielli Sousa; Nunes, Giovana Gioppo; Soares, Jaísa Fernandes Crystal structures of binuclear complexes of gadolinium(III) and dysprosium(III) with oxalate bridges and chelating N,N′-bis(2-oxidobenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen2−) Acta Crystallographica Section E Crystallographic Communications 75(4) (2019) 418
Space group: P -1
Cell volume: 1633.7
Cell parameters: 9.8778; 12.872; 14.8025; 69.092; 74.786; 70.324;  

COD ID: 2021537
CIF file

HKL data

Formula: - C62 H80 Dy2 N8 O16 -
Comments: Barbosa, Guilherme Augusto; Santana, Francielli Sousa; Nunes, Giovana Gioppo; Soares, Jaísa Fernandes Crystal structures of binuclear complexes of gadolinium(III) and dysprosium(III) with oxalate bridges and chelating N,N′-bis(2-oxidobenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen2−) Acta Crystallographica Section E Crystallographic Communications 75(4) (2019) 418
Space group: P -1
Cell volume: 1626.2
Cell parameters: 9.883; 12.838; 14.832; 68.213; 74.653; 70.552;  

COD ID: 2021560
CIF file

Original IUCr paper

Formula: - C8 H3 F2 Mn O6 S -
Comments: Daran, Jean-Claude; Morales-Cerrada, Roberto; Fliedel, Christophe; Gayet, Florence; Ladmiral, Vincent; Ameduri, Bruno; Poli, Rinaldo Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I) Acta Crystallographica Section E Crystallographic Communications 75(5) (2019) 529
Space group: P 1 21/c 1
Cell volume: 1160.49
Cell parameters: 6.3503; 14.9583; 12.3127; 90; 97.149; 90;  

COD ID: 2021615
CIF file

HKL data

Original IUCr paper

Formula: - C23 H34 N2 O4 -
Comments: Wang, Haijing; Yin, Zhenming Crystal structure and Hirshfeld surface analysis of dibutyl 5,5′-(pentane-3,3-diyl)bis(1H-pyrrole-5-carboxylate) Acta Crystallographica Section E Crystallographic Communications 75(6) (2019) 711
Space group: F d d d
Cell volume: 9681
Cell parameters: 14.358; 17.333; 38.902; 90; 90; 90;  

COD ID: 2021657
CIF file

HKL data

Original IUCr paper

Formula: - C20 H18 N O3 P -
Comments: Trush, Victor A.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Amirkhanov, Vladimir M. Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide Acta Crystallographica Section E Crystallographic Communications 75(7) (2019) 939
Space group: P 21 21 21
Cell volume: 1764.6
Cell parameters: 8.317; 12.657; 16.763; 90; 90; 90;  

COD ID: 2021694
CIF file

HKL data

Original IUCr paper

Formula: - C8 H6 Cl F3 N2 O S -
Comments: Mondal, Pradip Kumar; T, Athulbabu; Rao, Varun; Chopra, Deepak Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride Acta Crystallographica Section E Crystallographic Communications 75(8) (2019) 1084
Space group: P 1 21/c 1
Cell volume: 1024
Cell parameters: 15.737; 8.526; 7.761; 90; 100.45; 90;  

COD ID: 2021695
CIF file

HKL data

Formula: - C8 H5 F3 N2 O S -
Comments: Mondal, Pradip Kumar; T, Athulbabu; Rao, Varun; Chopra, Deepak Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride Acta Crystallographica Section E Crystallographic Communications 75(8) (2019) 1084
Space group: P -1
Cell volume: 1834.2
Cell parameters: 8.0824; 11.788; 19.745; 78.449; 84.378; 89.318;  

COD ID: 2021760
CIF file

HKL data

Original IUCr paper

Formula: - C30 H29 N O -
Comments: Ben Ali, Karim; Retailleau, Pascal Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]-1,2-diphenylethanol Acta Crystallographica Section E Crystallographic Communications 75(10) (2019) 1399
Space group: P 21 21 21
Cell volume: 2421.9
Cell parameters: 7.3009; 11.0552; 30.006; 90; 90; 90;  

COD ID: 2021794
CIF file

Original IUCr paper

Formula: - C15 H24 O3 -
Comments: Shorunov, Sergey V.; Bermeshev, Maxim V.; Demchuk, Dmitry V.; Nelyubina, Yulia V. Synthesis and structure of 2,4,6-tricyclobutyl-1,3,5-trioxane Acta Crystallographica Section E Crystallographic Communications 75(11) (2019) 1578
Space group: P 63 c m
Cell volume: 687.68
Cell parameters: 9.9966; 9.9966; 7.9461; 90; 90; 120;  

COD ID: 2021971
CIF file

HKL data

Original IUCr paper

Formula: - C21 H40 O3 -
Comments: Bibi, Memoona; Choudhary, M. Iqbal; Yousuf, Sammer Crystal structure and Hirshfeld surface analysis of the methanol solvate of sclareol, a labdane-type diterpenoid Acta Crystallographica Section E Crystallographic Communications 76(3) (2020) 294
Space group: P 1
Cell volume: 1015.45
Cell parameters: 6.1728; 12.3721; 13.6788; 84.302; 80.846; 80.909;  

COD ID: 2021993
CIF file

HKL data

Original IUCr paper

Formula: - C15 H14 N2 O2 -
Comments: Jeroundi, Dounia; Mazzah, Ahmed; Hökelek, Tuncer; El Hadrami, El Mestafa; Renard, Catherine; Haoudi, Amal; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione Acta Crystallographica Section E Crystallographic Communications 76(4) (2020) 467
Space group: P 1 21 1
Cell volume: 640.36
Cell parameters: 8.4959; 9.6479; 8.7619; 90; 116.921; 90;  

COD ID: 2022002
CIF file

HKL data

Original IUCr paper

Formula: - C22 H30 Cl2 N4 Ni O12 -
Comments: Politeo, Nives; Pisačić, Mateja; Đaković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko Synthesis and crystal structure of a 6-chloronicotinate salt of a one-dimensional cationic nickel(II) coordination polymer with 4,4′-bipyridine Acta Crystallographica Section E Crystallographic Communications 76(5) (2020) 599
Space group: P 1 21/n 1
Cell volume: 1452.38
Cell parameters: 10.7997; 11.2319; 12.0225; 90; 95.184; 90;  

COD ID: 2022132
CIF file

HKL data

Original IUCr paper

Formula: - C42 H39 Au3 Fe N12 O4 -
Comments: Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Shova, Sergiu; Gural'skiy, Il'ya A. Crystal structure of catena-poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate] Acta Crystallographica Section E Crystallographic Communications 76(6) (2020) 944
Space group: P -1
Cell volume: 1249.9
Cell parameters: 10.5601; 11.0044; 11.8145; 80.212; 69.124; 78.565;  

COD ID: 2022163
CIF file

HKL data

Formula: - C16 H24 N2 S6 -
Comments: Assoumatine, Tokouré; Stoeckli-Evans, Helen The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane Acta Crystallographica Section E Crystallographic Communications 76(7) (2020) 977
Space group: P 1 21/n 1
Cell volume: 979.79
Cell parameters: 9.4078; 9.2511; 11.6953; 90; 105.722; 90;  

COD ID: 2022164
CIF file

HKL data

Formula: - C16 H24 N2 S6 -
Comments: Assoumatine, Tokouré; Stoeckli-Evans, Helen The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane Acta Crystallographica Section E Crystallographic Communications 76(7) (2020) 977
Space group: P b c n
Cell volume: 1987.8
Cell parameters: 12.2613; 9.9564; 16.2828; 90; 90; 90;  

COD ID: 2022178
CIF file

HKL data

Original IUCr paper

Formula: - C13 H9 Cl2 N3 O2 -
Comments: Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine Acta Crystallographica Section E Crystallographic Communications 76(8) (2020) 1173
Space group: P 1 21/n 1
Cell volume: 1344.67
Cell parameters: 7.1138; 12.6827; 15.1613; 90; 100.571; 90;  

COD ID: 2022294
CIF file

HKL data

Original IUCr paper

Formula: - C11 H22 Br2 N4 -
Comments: Mulrooney, David Z. T.; Müller-Bunz, Helge; Keene, Tony D. Crystal structure and halogen‒hydrogen bonding of a Delépine reaction intermediate Acta Crystallographica Section E Crystallographic Communications 77(1) (2021) 1-4
Space group: P 1 21/n 1
Cell volume: 1426.47
Cell parameters: 8.7897; 14.8937; 11.1294; 90; 101.742; 90;  

COD ID: 2022339
CIF file

HKL data

Original IUCr paper

Formula: - C36 H74.68 Cl32 Cu32 N12 O25.97 S12 -
Comments: Gizatullin, Amir; Becker, Jonathan; Islamov, Daut; Serov, Nikita; Schindler, Siegfried; Klimovitskii, Alexander; Shtyrlin, Valery Synthesis and structure of a complex of copper(I) with L-cysteine and chloride ions containing Cu12S6 nanoclusters Acta Crystallographica Section E Crystallographic Communications 77(4) (2021) 324-330
Space group: C 1 2 1
Cell volume: 18712.6
Cell parameters: 29.4665; 22.1299; 28.9371; 90; 97.3964; 90;  

COD ID: 2022377
CIF file

Original IUCr paper

Formula: - Mg O7 V2 Zn -
Comments: Hong, Stephanie J.; Li, Jun; Subramanian, Mas A. Crystal structure refinement of magnesium zinc divanadate, MgZnV2O7, from powder X-ray diffraction data Acta Crystallographica Section E Crystallographic Communications 77(6) (2021) 588-591
Space group: C 1 2/m 1
Cell volume: 808.193
Cell parameters: 10.32882; 8.50126; 9.30814; 90; 98.5748; 90;  

COD ID: 2022386
CIF file

HKL data

Original IUCr paper

Formula: - H2 Hg I3 K O -
Comments: Chocolatl Torres, Misael; Bernès, Sylvain; Salazar Kuri, Ulises Refinement of K[HgI3]·H2O using non-spherical atomic form factors Acta Crystallographica Section E Crystallographic Communications 77(7) (2021) 681-685
Space group: P n a 21
Cell volume: 906.89
Cell parameters: 8.581; 9.2648; 11.4073; 90; 90; 90;  

COD ID: 2022437
CIF file

HKL data

Original IUCr paper

Formula: - C68 H113.12 Cl2 N18 O10 Th6 -
Comments: Kelley, Steven P.; Rungthanaphatsophon, Pokpong; Walensky, Justin R. Crystal structure of [Th3(Cp*)3(O)(OH)3]2Cl2(N3)6: a discrete molecular capsule built from multinuclear organothorium cluster cations Acta Crystallographica Section E Crystallographic Communications 77(10) (2021)
Space group: C 1 2/m 1
Cell volume: 4246.6
Cell parameters: 17.6783; 17.2647; 16.383; 90; 121.867; 90;  

COD ID: 2022482
CIF file

HKL data

Original IUCr paper

Formula: - C17 H7 F8 N3 O -
Comments: Pokhodylo, Nazariy T.; Slyvka, Yurii; Goreshnik, Evgeny; Lytvyn, Roman Synthesis, crystal structure and Hirshfeld surface analysis of (4-methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone Acta Crystallographica Section E Crystallographic Communications 77(11) (2021)
Space group: P 21 21 21
Cell volume: 1638.2
Cell parameters: 6.7605; 15.065; 16.0849; 90; 90; 90;  

COD ID: 2022483
CIF file

HKL data

Original IUCr paper

Formula: - C15 H21 N O5 S Se -
Comments: Rajegowda, H. R.; Suchetan, P. A.; Butcher, R. J.; Raghavendra Kumar, P. Synthesis and absolute structure of (R)-2-(benzylselanyl)-1-phenylethanaminium hydrogen sulfate monohydrate: crystal structure and Hirshfeld surface analyses Acta Crystallographica Section E Crystallographic Communications 77(11) (2021)
Space group: P 1 21 1
Cell volume: 897.38
Cell parameters: 10.4266; 6.0539; 14.2168; 90; 90.261; 90;  

COD ID: 2022491
CIF file

HKL data

Original IUCr paper

Formula: - C70 H70 N8 O4 Se2 -
Comments: Malla, Manzoor Ahmad; Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K. Crystal structure, Hirshfeld surface analysis and DFT study of 2,2''-({[(1<i>E</i>,1'<i>E</i>)-(diselanediyl)bis(2,1-phenylene)]bis(methaneylylidene)}bis(azaneylylidene))bis[3',6'-bis(diethylamino)-4a',9a'-dihydrospiro[isoindoline-1,9'-xanthen]-3-one] Acta Crystallographica Section E 78(1) (2022) 1-7
Space group: P -4 b 2
Cell volume: 6214
Cell parameters: 21.507; 21.507; 13.434; 90; 90; 90;  

COD ID: 2022514
CIF file

HKL data

Original IUCr paper

Formula: - C54 H55 Cl4 N13 Ni4 O26 -
Comments: Patel, R. N.; Patel, S. K.; Patel, A. K.; Patel, N.; Butcher, Ray J. A tetranuclear nickel(II) complex, [Ni4(L)4](ClO4)4·C2H3N·2H2O, with an asymmetric Ni4O4 open-cubane-like core Acta Crystallographica Section E Crystallographic Communications 78(2) (2022)
Space group: P n a 21
Cell volume: 6247.2
Cell parameters: 23.5976; 11.8723; 22.2989; 90; 90; 90;  

COD ID: 2022532
CIF file

HKL data

Original IUCr paper

Formula: - C38 H64 Mo N2 O6 -
Comments: Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones Acta Crystallographica Section E Crystallographic Communications 78(3) (2022)
Space group: P 1 21/n 1
Cell volume: 3875.6
Cell parameters: 18.4889; 10.9722; 19.1517; 90; 94.035; 90;  

COD ID: 2022533
CIF file Formula: - C26 H32 Mo N4 O6 -
Comments: Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones Acta Crystallographica Section E Crystallographic Communications 78(3) (2022)
Space group: P -1
Cell volume: 2639.68
Cell parameters: 9.601; 12.86; 21.428; 91.44; 91.49; 93.22;  

COD ID: 2022579
CIF file

HKL data

Original IUCr paper

Formula: - C20 H20 N2 O4 -
Comments: Yeşilbağ, Semanur; Çınar, Emine Berrin; Dege, Necmi; Ağar, Erbil; Saif, Eiad Crystal structure and Hirshfeld surface analysis of dimethyl 3,3′-{[(1E,2E)-ethane-1,2-diylidene]bis(azanylylidene)}bis(4-methylbenzoate) Acta Crystallographica Section E Crystallographic Communications 78(4) (2022)
Space group: P 1 21/n 1
Cell volume: 889.95
Cell parameters: 4.6003; 6.2969; 30.726; 90; 90.886; 90;  

COD ID: 2022598
CIF file

HKL data

Original IUCr paper

Formula: - C41.5 H35 F6 N6 O2.5 P2 Ru S -
Comments: Takase, Tsugiko; Yamanaka, Takashi; Tamura, Chihiro; Oyama, Dai Isolation and structural comparison of RuII-dnp complexes [dnp = 2,6-bis(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands Acta Crystallographica Section E Crystallographic Communications 78(6) (2022)
Space group: P -1
Cell volume: 2186.3
Cell parameters: 9.3699; 15.3897; 16.0267; 92.6869; 105.154; 100.015;  

COD ID: 2022599
CIF file

HKL data

Original IUCr paper

Formula: - C33 H23 N9 Ru S2 -
Comments: Takase, Tsugiko; Yamanaka, Takashi; Tamura, Chihiro; Oyama, Dai Isolation and structural comparison of RuII-dnp complexes [dnp = 2,6-bis(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands Acta Crystallographica Section E Crystallographic Communications 78(6) (2022)
Space group: P 1 21/c 1
Cell volume: 2950.7
Cell parameters: 12.6556; 14.0986; 17.4421; 90; 108.535; 90;  

COD ID: 2022629
CIF file

HKL data

Original IUCr paper

Formula: - C19 H13 Br N2 O -
Comments: Naghiyev, Farid N.; Khrustalev, Victor N.; Dobrokhotova, Ekaterina V.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 2-(4-bromophenyl)-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carbonitrile Acta Crystallographica Section E Crystallographic Communications 78(8) (2022)
Space group: P n a 21
Cell volume: 1597.61
Cell parameters: 15.58979; 10.33883; 9.91195; 90; 90; 90;  

COD ID: 2022660
CIF file

HKL data

Original IUCr paper

Formula: - C6 H10 N2 -
Comments: van Terwingen, Steven; Englert, Ulli Trimethylpyrazole: a simple heterocycle reflecting Kitaigorodskii's packing principle Acta Crystallographica Section E Crystallographic Communications 78(10) (2022)
Space group: P n m a
Cell volume: 627.4
Cell parameters: 11.205; 6.687; 8.373; 90; 90; 90;  

COD ID: 2022678
CIF file

HKL data

Original IUCr paper

Formula: - C15 H8 Cl2 F6 N4 O S -
Comments: Priyanka, Prabhakar; Jayanna, Bidarur K.; Sunil Kumar, Yelekere C.; Shreenivas, Mellekatte T.; Srinivasa, Gejjelegere R.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean Synthesis, spectroscopic and crystal structure studies of N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1H-pyrazol-5-yl}-2,2,2-trifluoroacetamide Acta Crystallographica Section E Crystallographic Communications 78(11) (2022)
Space group: P b c a
Cell volume: 3735
Cell parameters: 9.935; 17.5133; 21.4662; 90; 90; 90;  

COD ID: 2022691
CIF file

HKL data

Original IUCr paper

Formula: - C8 H10 N2 O8 -
Comments: Boutebdja, Mehdi; Benarous, Nesrine; Boulkedid, Ahlem Linda; Lehleh, Asma; Beghidja, Adel A new (monohydrate) form of 3,5-dicarboxyanilinium nitrate: crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E Crystallographic Communications 78(12) (2022)
Space group: P 1 21/c 1
Cell volume: 2132.31
Cell parameters: 14.7026; 8.5449; 16.9929; 90; 92.8; 90;  

COD ID: 2022692
CIF file

HKL data

Original IUCr paper

Formula: - C22 H29 B10 N -
Comments: Milewski, Max; Caminade, Anne-Marie; Hey-Hawkins, Evamarie; Lönnecke, Peter Pitfalls of a structure determination: The structure of closo-9-[4-(dibenzylamino)phenyl]-1,2-dicarbadodecaborane(12) Acta Crystallographica Section E Crystallographic Communications 78(12) (2022)
Space group: P 1 21/c 1
Cell volume: 4632.07
Cell parameters: 13.0128; 27.1423; 13.9114; 90; 109.485; 90;  

COD ID: 2022733
CIF file

HKL data

Original IUCr paper

Formula: - C26 H28 Co N6 O4 Se2 -
Comments: Näther, Christian; Jess, Inke Synthesis, crystal structure and properties of bis(isoselenocyanato-κN)tetrakis(4-methoxypyridine-κN)cobalt(II) Acta Crystallographica Section E Crystallographic Communications 79(3) (2023) 216-220
Space group: P b c a
Cell volume: 5984.4
Cell parameters: 10.0531; 17.3479; 34.3141; 90; 90; 90;  

COD ID: 2022749
CIF file

HKL data

Original IUCr paper

Formula: - C11 H7 N5 O S -
Comments: Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Kerimli, Fuad Sh.; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 1,6-diamino-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3,5-dicarbonitrile Acta Crystallographica Section E Crystallographic Communications 79(5) (2023) 494-498
Space group: P -1
Cell volume: 1075.92
Cell parameters: 8.94782; 9.03908; 14.87299; 90.9441; 104.12; 111.745;  

COD ID: 2022778
CIF file

HKL data

Original IUCr paper

Formula: - C16 H22 O2 -
Comments: Tirkasheva, Sarvinoz I.; Ziyadullaev, Odiljon E.; Eshimbetov, Alisher G.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M. Synthesis, crystal structure, Hirshfeld surface analysis and DFT study of the 1,1′-(buta-1,3-diyne-1,4-diyl)bis(cyclohexan-1-ol) Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 1 2/c 1
Cell volume: 1475.09
Cell parameters: 10.4134; 6.9167; 20.4801; 90; 90.308; 90;  

COD ID: 2022779
CIF file

HKL data

Original IUCr paper

Formula: - C6 H8 Li2 N8 O12 -
Comments: Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald catena-Poly[[bis(diaqualithium)]-μ4-3,3′,5,5′-tetranitro-4,4′-bipyrazole-1,1′-diido]: a new moisture-insensitive alkali-metal energetic salt with a well-defined network structure Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P c c n
Cell volume: 1516.87
Cell parameters: 11.5094; 13.9839; 9.4247; 90; 90; 90;  

COD ID: 2022780
CIF file

HKL data

Formula: - C21 H37 N3 Na3 O26 Sm -
Comments: Mortensen, Sabina Svava; Sørensen, Thomas Just Crystal structures of two SmIII complexes with dipicolinate [DPA]2− ligands: comparison of luminescent properties of products obtained at different pH values Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P -1
Cell volume: 1754.9
Cell parameters: 10.2674; 10.9688; 17.157; 73.835; 77.573; 72.894;  

COD ID: 2022781
CIF file

HKL data

Formula: - C14 H19 N2 O14 Sm -
Comments: Mortensen, Sabina Svava; Sørensen, Thomas Just Crystal structures of two SmIII complexes with dipicolinate [DPA]2− ligands: comparison of luminescent properties of products obtained at different pH values Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 1 21/c 1
Cell volume: 1946.1
Cell parameters: 13.9292; 11.1969; 12.8086; 90; 103.049; 90;  

COD ID: 2022782
CIF file

HKL data

Original IUCr paper

Formula: - Ag3 Dy2 N9 O27 -
Comments: Klein, Wilhelm Crystal structure of Ag3Dy2(NO3)9 and quantitative comparison to isotypic compounds Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 41 3 2
Cell volume: 2300.18
Cell parameters: 13.2004; 13.2004; 13.2004; 90; 90; 90;  

COD ID: 2022783
CIF file

HKL data

Original IUCr paper

Formula: - C15 H19 N3 O5 S2 -
Comments: Abu-Zaied, Mamdouh A.; Hebishy, Ali M. S.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G. Crystal structure of 5-(β-D-glucopyranosylthio)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 1 21 1
Cell volume: 849.539
Cell parameters: 6.2384; 7.4355; 18.32032; 90; 91.4183; 90;  

COD ID: 2022784
CIF file

HKL data

Original IUCr paper

Formula: - C56 H47 Fe N3 O -
Comments: Bütikofer, André; Chen, Peter Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P c a 21
Cell volume: 4283.8
Cell parameters: 16.7473; 12.1998; 20.9668; 90; 90; 90;  

COD ID: 2022785
CIF file

HKL data

Formula: - C127 H88 Fe2 N6 O3 -
Comments: Bütikofer, André; Chen, Peter Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 1 21 1
Cell volume: 4654.33
Cell parameters: 15.2471; 19.8604; 15.5785; 90; 99.378; 90;  

COD ID: 2022786
CIF file

HKL data

Formula: - C8 H6 Br2 Cd N2 O -
Comments: Turgunov, Kambarali K.; Englert, Ulli Metal halide coordination compounds with quinazolin-4(3H)-one Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 1 21/c 1
Cell volume: 1051.79
Cell parameters: 10.793; 7.2019; 13.7605; 90; 100.47; 90;  

COD ID: 2022787
CIF file

HKL data

Formula: - C8 H6 Cl2 Hg N2 O -
Comments: Turgunov, Kambarali K.; Englert, Ulli Metal halide coordination compounds with quinazolin-4(3H)-one Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P -1
Cell volume: 496.92
Cell parameters: 6.8191; 7.0735; 10.4659; 85.718; 80.7887; 89.152;  

COD ID: 2022788
CIF file

HKL data

Formula: - C16 H12 Cd I2 N4 O2 -
Comments: Turgunov, Kambarali K.; Englert, Ulli Metal halide coordination compounds with quinazolin-4(3H)-one Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: C 1 2/c 1
Cell volume: 1783.4
Cell parameters: 22.242; 6.845; 13.3702; 90; 118.822; 90;  

COD ID: 2022789
CIF file

HKL data

Original IUCr paper

Formula: - C16 H22 Cl6 N8 O4 Pt -
Comments: Zagidullin, Karim A.; Novikov, Anton P.; Zelenina, Daria A.; Grigoriev, Mikhail S.; German, Konstantin E. Synthesis, crystal structure and Hirshfeld surface analysis of bis(caffeinium) hexachloridoplatinum(IV) in comparison with some related compounds Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P -1
Cell volume: 620.92
Cell parameters: 7.88; 8.1542; 10.5374; 95.784; 91.525; 112.472;  

COD ID: 2022790
CIF file

HKL data

Original IUCr paper

Formula: - C18 H18 Cl2 N2 -
Comments: Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: C 1 2/c 1
Cell volume: 3342.4
Cell parameters: 31.7847; 6.0289; 23.722; 90; 132.669; 90;  

COD ID: 2022791
CIF file

HKL data

Original IUCr paper

Formula: - C19 H20 Cl2 N2 -
Comments: Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: C 1 2/c 1
Cell volume: 3604.08
Cell parameters: 30.9062; 6.27248; 23.3475; 90; 127.223; 90;  

COD ID: 2022792
CIF file

HKL data

Original IUCr paper

Formula: - C19 H20 Cl2 N2 O -
Comments: Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 1 21/c 1
Cell volume: 1824.35
Cell parameters: 13.8738; 12.5946; 11.3013; 90; 112.505; 90;  

COD ID: 2022793
CIF file

HKL data

Original IUCr paper

Formula: - C19 H20 Cl2 N2 -
Comments: Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P -1
Cell volume: 1781.78
Cell parameters: 9.8352; 11.8401; 16.3964; 98.397; 96.189; 107.149;  

COD ID: 2022794
CIF file

HKL data

Original IUCr paper

Formula: - C7 H19 Mn N O9 S -
Comments: Golen, James A.; Manke, David R. 3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P n m a
Cell volume: 1402.02
Cell parameters: 17.1868; 7.1278; 11.4447; 90; 90; 90;  

COD ID: 2022795
CIF file

HKL data

Formula: - C7 H19 Co N O9 S -
Comments: Golen, James A.; Manke, David R. 3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P n m a
Cell volume: 1369.92
Cell parameters: 17.1238; 7.1064; 11.2576; 90; 90; 90;  

COD ID: 2022796
CIF file

HKL data

Formula: - C7 H19 N Ni O9 S -
Comments: Golen, James A.; Manke, David R. 3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P n m a
Cell volume: 1356.67
Cell parameters: 17.1196; 7.0609; 11.2233; 90; 90; 90;  

COD ID: 2022797
CIF file

HKL data

Formula: - C7 H19 N O9 S Zn -
Comments: Golen, James A.; Manke, David R. 3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P n m a
Cell volume: 1369.6
Cell parameters: 17.1312; 7.0826; 11.2879; 90; 90; 90;  

COD ID: 2022798
CIF file

HKL data

Original IUCr paper

Formula: - C19 H17 Cu N3 O4 -
Comments: Suzuki, Soma; Akiyama, Yukihito; Nakane, Daisuke; Akitsu, Takashiro Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[N-(2-oxidobenzylidene)tyrosinato-κ3 O,N,O′]copper(II) Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 21 21 21
Cell volume: 1745.46
Cell parameters: 5.5005; 12.1363; 26.147; 90; 90; 90;  

COD ID: 2022799
CIF file

HKL data

Original IUCr paper

Formula: - C13 H11 Cl N2 O -
Comments: Geetha, Doreswamy; Kavitha, Channappa N.; Divakara, Thayamma R.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean Crystal structure and Hirshfeld-surface analysis of a monoclinic polymorph of 2-amino-5-chlorobenzophenone oxime at 90 K Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 1 21/n 1
Cell volume: 1166.37
Cell parameters: 12.8264; 5.5423; 17.4082; 90; 109.522; 90;  

COD ID: 2022800
CIF file

HKL data

Original IUCr paper

Formula: - C10 H7 Br O -
Comments: Siddiqui, Shaziyaparveen K.; Ramana, C. V.; Gonnade, Rajesh G. Crystal structure of 1-(4-bromophenyl)but-3-yn-1-one Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 1 21/n 1
Cell volume: 873.7
Cell parameters: 4.471; 9.032; 21.652; 90; 92.252; 90;  

COD ID: 2022801
CIF file

HKL data

Original IUCr paper

Formula: - C26 H24 Br2 N4 O8 S2 -
Comments: Sample, Harry C.; Twamley, Brendan; Senge, Mathias O. Structure of (R,R)-4-bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1H-pyrrol-2-yl]-1,3-dinitrobutan-2-yl}-1-(4-toluenesulfonyl)-1H-pyrrole, another ostensible by-product in the synthesis of geminal-dimethyl hydrodipyrrins Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P b c a
Cell volume: 5744
Cell parameters: 13.9764; 17.8228; 23.059; 90; 90; 90;  

COD ID: 2022802
CIF file

HKL data

Original IUCr paper

Formula: - C24 H29 F2 N O4 -
Comments: Pehlivanlar, Ezgi; Yıldırım, Sema Öztürk; Şimşek, Rahime; Akkurt, Mehmet; Butcher, Ray J.; Bhattarai, Ajaya Synthesis, crystal structure and Hirshfeld surface analysis of tert-butyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate Acta Crystallographica Section E Crystallographic Communications 79(7) (2023) 664-668
Space group: P 1 21/c 1
Cell volume: 2247.5
Cell parameters: 17.6062; 9.7588; 13.1509; 90; 95.905; 90;  

COD ID: 2022803
CIF file

HKL data

Original IUCr paper

Formula: - C14 H20 N6 Ni O4 S2 -
Comments: Azizova, Asmet N.; Mammadova, Gunay Z.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate Acta Crystallographica Section E Crystallographic Communications 79(7) (2023) 669-673
Space group: P -1
Cell volume: 520.92
Cell parameters: 6.5394; 8.9611; 10.202; 67.965; 79.666; 70.349;  

COD ID: 2022804
CIF file

HKL data

Original IUCr paper

Formula: - C10 H8 N2 O -
Comments: McClements, Isobelle F.; Wiesler, Clara R.; Tanski, Joseph M. Crystallographic and spectroscopic characterization of two 1-phenyl-1H-imidazoles: 4-(1H-imidazol-1-yl)benzaldehyde and 1-(4-methoxyphenyl)-1H-imidazole Acta Crystallographica Section E Crystallographic Communications 79(7) (2023) 678-681
Space group: P 1 21 1
Cell volume: 402.07
Cell parameters: 3.7749; 7.3711; 14.4524; 90; 91.096; 90;  

COD ID: 2022805
CIF file

HKL data

Original IUCr paper

Formula: - C10 H10 N2 O -
Comments: McClements, Isobelle F.; Wiesler, Clara R.; Tanski, Joseph M. Crystallographic and spectroscopic characterization of two 1-phenyl-1H-imidazoles: 4-(1H-imidazol-1-yl)benzaldehyde and 1-(4-methoxyphenyl)-1H-imidazole Acta Crystallographica Section E Crystallographic Communications 79(7) (2023) 678-681
Space group: P 1 21/c 1
Cell volume: 877.6
Cell parameters: 8.5663; 11.2143; 9.1635; 90; 94.448; 90;  

COD ID: 2022806
CIF file

HKL data

Original IUCr paper

Formula: - C17 H13 Cl O3 -
Comments: Vinaya,; Richard, Austin S.; Murthy, Subbiah M.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chlorophenyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)prop-2-en-1-one Acta Crystallographica Section E Crystallographic Communications 79(7) (2023) 674-677
Space group: P n a 21
Cell volume: 1387.1
Cell parameters: 5.8655; 14.3499; 16.4803; 90; 90; 90;  

COD ID: 2022807
CIF file

HKL data

Original IUCr paper

Formula: - C20 H17 N3 O3 -
Comments: Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G. Co-crystallization of N′-benzylidenepyridine-4-carbohydrazide and benzoic acid via autoxidation of benzaldehyde Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P b c a
Cell volume: 3516.1
Cell parameters: 11.7044; 7.8531; 38.253; 90; 90; 90;  

COD ID: 2022808
CIF file

HKL data

Original IUCr paper

Formula: - C38 H28 O6 -
Comments: Anil Kumar, H.; Selvanandan, S.; Srinivasa, H. T.; Venkateshappa, G.; Palakshamurthy, B. S. Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis(3-benzyloxy)benzoate Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 1 21/n 1
Cell volume: 2933.26
Cell parameters: 9.5219; 10.101; 30.705; 90; 96.666; 90;  

COD ID: 2022809
CIF file

HKL data

Original IUCr paper

Formula: - C8 H19 Br3 N2 O2 -
Comments: Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1) Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 1 21/n 1
Cell volume: 739.42
Cell parameters: 7.9009; 10.3466; 9.4948; 90; 107.703; 90;  

COD ID: 2022810
CIF file

HKL data

Original IUCr paper

Formula: - C8 H19 Br2 I N2 O2 -
Comments: Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1) Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P -1
Cell volume: 765.51
Cell parameters: 7.2943; 7.9544; 13.6097; 90.645; 103.651; 93.656;  

COD ID: 2022811
CIF file

HKL data

Original IUCr paper

Formula: - C8 H19 Cl2 I N2 O2 -
Comments: Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1) Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: C 1 2/m 1
Cell volume: 736.06
Cell parameters: 10.5264; 6.7261; 10.8124; 90; 105.95; 90;  

COD ID: 2022812
CIF file

HKL data

Original IUCr paper

Formula: - C13 H15 N O2 -
Comments: Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and benzyl-, tert-butyl- and (S)-methylbenzylamine Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 1 21/c 1
Cell volume: 1136.4
Cell parameters: 11.7356; 9.2401; 11.397; 90; 113.148; 90;  

COD ID: 2022813
CIF file

HKL data

Original IUCr paper

Formula: - C10 H17 N O2 -
Comments: Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and benzyl-, tert-butyl- and (S)-methylbenzylamine Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 1 21/c 1
Cell volume: 1034.16
Cell parameters: 9.8226; 9.8323; 11.27; 90; 108.171; 90;  

COD ID: 2022814
CIF file

HKL data

Original IUCr paper

Formula: - C14 H17 N O2 -
Comments: Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and benzyl-, tert-butyl- and (S)-methylbenzylamine Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 1 21 1
Cell volume: 1243.48
Cell parameters: 10.0459; 8.1011; 15.7052; 90; 103.372; 90;  

COD ID: 2022815
CIF file

HKL data

Original IUCr paper

Formula: - C28 H42 N4 Ni S6 -
Comments: Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio Crystal structure of bis{S-octyl-3-[(thiophen-2-yl)methylidene]dithiocarbazato-κ2 N 3,S}nickel(II) Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 1 21/c 1
Cell volume: 1686.45
Cell parameters: 15.5444; 5.5388; 20.1592; 90; 103.675; 90;  

COD ID: 2022816
CIF file

HKL data

Original IUCr paper

Formula: - C27 H36 N2 O5 -
Comments: Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean Crystal structures of four organic salts of trihexyphenidyl at 90 K Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P -1
Cell volume: 1219
Cell parameters: 6.2568; 11.7542; 16.9162; 85.329; 79.534; 87.785;  

COD ID: 2022817
CIF file

HKL data

Original IUCr paper

Formula: - C27 H37 N O4 -
Comments: Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean Crystal structures of four organic salts of trihexyphenidyl at 90 K Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: C 1 2/c 1
Cell volume: 4652
Cell parameters: 45.098; 8.5314; 12.3516; 90; 101.789; 90;  

COD ID: 2022818
CIF file

HKL data

Original IUCr paper

Formula: - C27 H36 Br N O3 -
Comments: Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean Crystal structures of four organic salts of trihexyphenidyl at 90 K Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 1 21/n 1
Cell volume: 2425.4
Cell parameters: 6.2422; 17.8126; 21.9938; 90; 97.345; 90;  

COD ID: 2022819
CIF file

HKL data

Original IUCr paper

Formula: - C50 H72 N2 O7 S2 -
Comments: Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean Crystal structures of four organic salts of trihexyphenidyl at 90 K Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P -1
Cell volume: 2375.3
Cell parameters: 6.2765; 18.539; 20.6383; 89.71; 81.6; 88.977;  

COD ID: 2022820
CIF file

HKL data

Original IUCr paper

Formula: - C4 K6 O12 Zn -
Comments: Eder, Felix; Weil, Matthias Crystal structure of K6[Zn(CO3)4] Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: C 1 2/c 1
Cell volume: 1366.4
Cell parameters: 7.185; 18.1117; 10.5206; 90; 93.579; 90;  

COD ID: 2022821
CIF file

HKL data

Original IUCr paper

Formula: - C15 H14 O2 -
Comments: Khalilov, Ali N.; Khrustalev, Victor N.; Samigullina, Aida I.; Akkurt, Mehmet; Rzayev, Rovnag M.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-dimethylfuran-3-yl)-3-phenylprop-2-en-1-one Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 21 21 21
Cell volume: 1157.24
Cell parameters: 5.84787; 12.18109; 16.24568; 90; 90; 90;  

COD ID: 2022822
CIF file

HKL data

Original IUCr paper

Formula: - C24 H22 N5 Na O4 S -
Comments: Kubono, Koji; Tanaka, Ryoichi; Kashiwagi, Yukiyasu; Tani, Keita; Yokoi, Kunihiko Crystal structure of poly[(acetonitrile-κN)(μ3-7-{[bis(pyridin-2-ylmethyl)amino]methyl}-8-hydroxyquinoline-5-sulfonato-κ4 N,O:O′:O′′)sodium] Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 1 21/c 1
Cell volume: 2409.77
Cell parameters: 10.4951; 14.1401; 16.9249; 90; 106.378; 90;  

COD ID: 2022823
CIF file

HKL data

Original IUCr paper

Formula: - C22 H16 F N O2 S2 -
Comments: Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K. Crystal-structure determination and Hirshfeld surface analysis of two new thiophene derivatives: (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}-N-(but-2-yn-1-yl)benzenesulfonamide Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 1 21/c 1
Cell volume: 1954.23
Cell parameters: 7.9588; 25.984; 9.5178; 90; 96.853; 90;  

COD ID: 2022824
CIF file

HKL data

Original IUCr paper

Formula: - C26 H20 F N O2 S2 -
Comments: Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K. Crystal-structure determination and Hirshfeld surface analysis of two new thiophene derivatives: (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}-N-(but-2-yn-1-yl)benzenesulfonamide Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P 1 21/c 1
Cell volume: 2309.45
Cell parameters: 9.3517; 31.7075; 8.6063; 90; 115.179; 90;  

COD ID: 2022825
CIF file

HKL data

Original IUCr paper

Formula: - C25 H17 N3 O5 S2 -
Comments: Mammadova, Gunay Z.; Yakovleva, Elizaveta D.; Burkin, Gleb M.; Khrustalev, Victor N.; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 4-cyano-N-[(4-cyanophenyl)sulfonyl]-N-[2-(5-methylfuran-2-yl)phenyl]benzenesulfonamide Acta Crystallographica Section E Crystallographic Communications 79(8) (2023)
Space group: P -1
Cell volume: 1140.11
Cell parameters: 7.4542; 9.5111; 16.4378; 88.838; 81.644; 81.414;  

COD ID: 2022826
CIF file

HKL data

Original IUCr paper

Formula: - C16 H22 N2 -
Comments: Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. N-Cyclohexyltryptamine: freebase, bromide and fumarate Acta Crystallographica Section E Crystallographic Communications 79(8) (2023) 752-756
Space group: P 1 21 1
Cell volume: 683.35
Cell parameters: 8.5446; 10.399; 8.6149; 90; 116.784; 90;  

COD ID: 2022827
CIF file

HKL data

Formula: - C16 H23 Br N2 -
Comments: Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. N-Cyclohexyltryptamine: freebase, bromide and fumarate Acta Crystallographica Section E Crystallographic Communications 79(8) (2023) 752-756
Space group: P 1 21/n 1
Cell volume: 1626.44
Cell parameters: 10.5584; 7.9266; 19.4507; 90; 92.406; 90;  

COD ID: 2022828
CIF file

HKL data

Formula: - C18 H24 N2 O2 -
Comments: Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. N-Cyclohexyltryptamine: freebase, bromide and fumarate Acta Crystallographica Section E Crystallographic Communications 79(8) (2023) 752-756
Space group: P 1 21/n 1
Cell volume: 1682.8
Cell parameters: 9.2231; 16.1611; 11.4595; 90; 99.865; 90;  

COD ID: 2022829
CIF file

HKL data

Original IUCr paper

Formula: - C26 H16 -
Comments: Watanabe, Hikaru; Sato, Takuma; Sumita, Michiki; Shiroyama, Mei; Sugawara, Daichi; Tokuyama, Tomoki; Okuda, Yasuhiro; Wakamatsu, Kan; Akashi, Haruo; Orita, Akihiro Synthesis, optical properties and crystal structure of (E,E)-1,3-(3,4:9,10-dibenzododeca-1,11-diene-5,7-diyne-1,12-diyl)benzene Acta Crystallographica Section E Crystallographic Communications 79(8) (2023) 757-761
Space group: P 21 21 21
Cell volume: 1686.5
Cell parameters: 4.6034; 15.1542; 24.1754; 90; 90; 90;  

COD ID: 2022830
CIF file

HKL data

Original IUCr paper

Formula: - C9 H8 Cl N3 O3 -
Comments: Nasr, Tamer; Kariuki, Benson M.; Elansary, Mai M.; Elhaggar, Radwan; Zaghary, Wafaa Synthesis and crystal structures of (E)-N′-(4-chloro-3-nitrobenzylidene)acetohydrazide and (E)-2-(4-chlorobenzylidene)-1-(quinolin-8-yl)hydrazine Acta Crystallographica Section E Crystallographic Communications 79(8) (2023) 762-766
Space group: P 1 21/c 1
Cell volume: 1069.63
Cell parameters: 4.4717; 11.9367; 20.1382; 90; 95.689; 90;  

COD ID: 2022831
CIF file

HKL data

Original IUCr paper

Formula: - C16 H12 Cl N3 -
Comments: Nasr, Tamer; Kariuki, Benson M.; Elansary, Mai M.; Elhaggar, Radwan; Zaghary, Wafaa Synthesis and crystal structures of (E)-N′-(4-chloro-3-nitrobenzylidene)acetohydrazide and (E)-2-(4-chlorobenzylidene)-1-(quinolin-8-yl)hydrazine Acta Crystallographica Section E Crystallographic Communications 79(8) (2023) 762-766
Space group: P 1 n 1
Cell volume: 1378.42
Cell parameters: 7.7968; 12.0926; 14.8738; 90; 100.601; 90;  

COD ID: 2022833
CIF file

HKL data

Original IUCr paper

Formula: - C16 H35 Br N2 O4 -
Comments: Carlson, Faith M.; Staples, Richard J.; Biros, Shannon M. Crystal structure of a (carboxymethyl)triethylazanium bromide–2-(triethylazaniumyl)acetate (1/1) hydrogen-bonded dimer Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: I 1 2/a 1
Cell volume: 1957.04
Cell parameters: 12.6692; 7.0967; 22.3413; 90; 103.022; 90;  

COD ID: 2022837
CIF file

HKL data

Original IUCr paper

Formula: - C26 H25.36 Cu N2 O5.68 -
Comments: Qadir, Adnan Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methylbenzoate and 2,2′-bipyridine ligands Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: P 1 21/c 1
Cell volume: 2485.9
Cell parameters: 16.754; 7.0021; 22.103; 90; 106.522; 90;  

COD ID: 2022838
CIF file

HKL data

Original IUCr paper

Formula: - C7 H14 Cl N5 O S2 -
Comments: Huseynov, Elnur Z.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Naghiyev, Farid N.; Asadov, Khammed A.; Maharramov, Abel M. Crystal structure and Hirshfeld surface analysis of 2-amino-5-{(1E)-1-[(carbamothioylamino)imino]ethyl}-4-methyl-1,3-thiazol-3-ium chloride monohydrate Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: P -1
Cell volume: 628.35
Cell parameters: 6.3279; 7.7816; 14.1342; 77.191; 83.66; 67.86;  

COD ID: 2022839
CIF file

HKL data

Original IUCr paper

Formula: - C24.58 H17.58 Br3 Cl1.75 N2 O6 S -
Comments: Achyuta, Nagaraj; Kanagasabai, Somarathinam; Vinayagam, Pavunkumar; Mohanakrishnan, Arasambattu K.; Gautham, Namasivayam; Gunasekaran, Krishnasamy Crystal structure and Hirshfeld surface analysis of 3-(bromomethyl)-2-[1,2-dibromo-2-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethyl]-1-(phenylsulfonyl)-1H-indole chloroform 0.585-solvate Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: P -1
Cell volume: 1377.27
Cell parameters: 10.0987; 12.2744; 12.4842; 99.448; 110.701; 100.696;  

COD ID: 2022840
CIF file

HKL data

Original IUCr paper

Formula: - C13 H15 N O3 -
Comments: Flores, Maritza J.; Mai, Brandon; Tanski, Joseph M. Spectroscopic, crystallographic, and Hirshfeld surface characterization of nine-membered-ring-containing 9-methoxy-3,4,5,6-tetrahydro-1H-benzo[b]azonine-2,7-dione and its parent tetrahydrocarbazole Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: P 1 21/c 1
Cell volume: 1126.92
Cell parameters: 16.0139; 8.2743; 8.5596; 90; 96.484; 90;  

COD ID: 2022841
CIF file

HKL data

Original IUCr paper

Formula: - C13 H15 N O -
Comments: Flores, Maritza J.; Mai, Brandon; Tanski, Joseph M. Spectroscopic, crystallographic, and Hirshfeld surface characterization of nine-membered-ring-containing 9-methoxy-3,4,5,6-tetrahydro-1H-benzo[b]azonine-2,7-dione and its parent tetrahydrocarbazole Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: C 1 2/c 1
Cell volume: 2133.9
Cell parameters: 20.513; 5.6374; 18.783; 90; 100.757; 90;  

COD ID: 2022842
CIF file

HKL data

Original IUCr paper

Formula: - C10 H24 Cd I4 N4 Ni -
Comments: Andriichuk, Irina L.; Shova, Sergiu; Lampeka, Yaroslaw D. Crystal structures of the complexes containing macrocyclic cations [M(cyclam)]2+ (M = Ni, Zn) and tetraiodidocadmate(2–) anion Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: P n m a
Cell volume: 2131.69
Cell parameters: 15.4317; 17.2945; 7.98733; 90; 90; 90;  

COD ID: 2022843
CIF file

HKL data

Original IUCr paper

Formula: - C10 H24 Cd I4 N4 Zn -
Comments: Andriichuk, Irina L.; Shova, Sergiu; Lampeka, Yaroslaw D. Crystal structures of the complexes containing macrocyclic cations [M(cyclam)]2+ (M = Ni, Zn) and tetraiodidocadmate(2–) anion Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: P n m a
Cell volume: 2184.38
Cell parameters: 15.6013; 17.2644; 8.1099; 90; 90; 90;  

COD ID: 2022844
CIF file

HKL data

Original IUCr paper

Formula: - C8 H16 Cl2 N2 O2 -
Comments: Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Divakara, Thayamma R.; Geetha, Doreswamy; Yathirajan, Hemmige S.; Parkin, Sean Crystal structure studies and Hirshfeld surface analysis of 4-(dimethylazaniumyl)-2-hydroxyanilinium dichloride monohydrate at 90 K Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: P 1 21/n 1
Cell volume: 1175.36
Cell parameters: 9.6493; 13.0873; 10.4634; 90; 117.188; 90;  

COD ID: 2022845
CIF file

HKL data

Original IUCr paper

Formula: - C52 H40.33 N16 O16.17 -
Comments: Mocilac, Pavle; Pohl, Fabian; Gallagher, John F. The unusual (syn-/anti-)2 conformation of a dimethoxypyrimidyl-based tennimide Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: P b c n
Cell volume: 5465.5
Cell parameters: 18.8065; 10.0745; 28.847; 90; 90; 90;  

COD ID: 2022846
CIF file

HKL data

Original IUCr paper

Formula: - C17 H14 N4 S2 -
Comments: Azzam, Rasha A.; Elgemeie, Galal H.; Elboshi, Heba A.; Jones, Peter G. Crystal structure of 2-{[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzo[d]thiazole Acta Crystallographica Section E Crystallographic Communications 79(9) (2023)
Space group: P -1
Cell volume: 797.05
Cell parameters: 8.9714; 9.3564; 10.4969; 94.088; 105.954; 107.393;  

COD ID: 2022848
CIF file

HKL data

Original IUCr paper

Formula: - C18 H18 Cd N4 O6 -
Comments: Razzoqova, Surayyo; Ibragimov, Aziz; Torambetov, Batirbay; Kadirova, Shakhnoza; Holczbauer, Tamas; Ashurov, Jamshid; Ibragimov, Bakhtiyar Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole Acta Crystallographica Section E Crystallographic Communications 79(9) (2023) 862-866
Space group: C 1 2/c 1
Cell volume: 4118.83
Cell parameters: 25.0497; 9.8428; 16.7577; 90; 94.534; 90;  

COD ID: 2022849
CIF file

HKL data

Original IUCr paper

Formula: - C9 H10 Cl4 N2 Zn -
Comments: Umirova, Gulnora A.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Kasimov, Sherzod A.; Djalilov, Abdulakhat T.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M. Crystal structure and Hirshfeld surface analysis of 8-azaniumylquinolinium tetrachloridozincate(II) Acta Crystallographica Section E Crystallographic Communications 79(9) (2023) 856-861
Space group: P 1 21/n 1
Cell volume: 1275.69
Cell parameters: 7.52646; 13.40703; 12.65801; 90; 92.8635; 90;  

COD ID: 2022850
CIF file

HKL data

Original IUCr paper

Formula: - C16 H13 Br O -
Comments: Akkurt, Mehmet; Naghiyev, Farid N.; Khrustalev, Victor N.; Asadov, Khammed A.; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one Acta Crystallographica Section E Crystallographic Communications 79(9) (2023) 847-851
Space group: P 21 21 21
Cell volume: 1281.19
Cell parameters: 3.942; 11.5915; 28.0387; 90; 90; 90;  

COD ID: 2022851
CIF file

HKL data

Original IUCr paper

Formula: - C14 H25 N5 O6 S2 -
Comments: Spingler, Bernhard Crystal structure of the nucleoside 2′-deoxyguanosine dimethyl sulfoxide disolvate Acta Crystallographica Section E Crystallographic Communications 79(9) (2023) 852-855
Space group: P 21 21 21
Cell volume: 1928.68
Cell parameters: 9.759; 11.7951; 16.7553; 90; 90; 90;  

COD ID: 2022852
CIF file

HKL data

Original IUCr paper

Formula: - C17 H13 N O4 -
Comments: Hollauer, Henrique V. P.; Vilas Novas, Rachel C.; Guedes, Guilherme P.; Buarque, Camilla D.; Escobar, Lívia B. L. Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-ylamino)benzoate Acta Crystallographica Section E Crystallographic Communications 79(9) (2023) 842-846
Space group: P c a 21
Cell volume: 1354.5
Cell parameters: 12.7698; 14.9212; 7.1087; 90; 90; 90;  

COD ID: 2022853
CIF file

HKL data

Original IUCr paper

Formula: - C6 H8 N2 O S -
Comments: Huseynov, Elnur Z.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Rzayev, Rovnag M.; Asadov, Khammed A.; Maharramov, Abel M. Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P 1 21/c 1
Cell volume: 727
Cell parameters: 6.7445; 13.498; 8.01; 90; 94.421; 90;  

COD ID: 2022854
CIF file

HKL data

Original IUCr paper

Formula: - C32 H28 F2 N2 O2 -
Comments: Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K. Synthesis, crystal structure, Hirshfeld surface analysis, DFT and NBO study of ethyl 1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P 1 21 1
Cell volume: 2541.7
Cell parameters: 8.8072; 17.795; 16.222; 90; 91.317; 90;  

COD ID: 2022855
CIF file

HKL data

Original IUCr paper

Formula: - C26 H16 Co N10 O4 S2 -
Comments: Näther, Christian; Jess, Inke Synthesis, crystal structure and thermal behavior of tetrakis(3-cyanopyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II), which shows strong pseudosymmetry Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P 1 21/n 1
Cell volume: 1406.04
Cell parameters: 6.5899; 17.9658; 11.9444; 90; 96.131; 90;  

COD ID: 2022856
CIF file

HKL data

Original IUCr paper

Formula: - C4 H4 Cl2 Co N2 -
Comments: Näther, Christian; Jess, Inke Synthesis and crystal structure of catena-poly[cobalt(II)-di-μ-chlorido-μ-pyridazine-κ2 N 1:N 2] Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: I m m a
Cell volume: 616.973
Cell parameters: 6.6935; 7.2024; 12.7978; 90; 90; 90;  

COD ID: 2022858
CIF file

HKL data

Original IUCr paper

Formula: - C12 H13 N3 O4 -
Comments: Yousra, Seqqat; El Ghayati, Lhoussaine; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Mague, Joel T.; Kandri Rodi, Youssef; Sebbar, Nada Kheira Crystal structure and Hirshfeld surface analysis of 3-ethoxy-1-ethyl-6-nitroquinoxalin-2(1H)-one Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P 1 21/n 1
Cell volume: 2489.2
Cell parameters: 14.4848; 12.5663; 15.2708; 90; 116.424; 90;  

COD ID: 2022859
CIF file

HKL data

Original IUCr paper

Formula: - C15 H14 Cl F N2 O2 -
Comments: Guseinov, Firudin I.; Ovsyannikov, Viacheslav O.; Sokolovskiy, Pavel V.; Sebyakin, Yurii L.; Samigullina, Aida I.; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluorophenyl)-2-formyl-7-methylimidazo[1,2-a]pyridin-1-ium chloride monohydrate Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P -1
Cell volume: 725.4
Cell parameters: 7.45681; 8.41737; 12.8928; 74.0382; 73.7634; 72.7034;  

COD ID: 2022860
CIF file

HKL data

Original IUCr paper

Formula: - C16 H13 N7 O2 -
Comments: Maharramov, Abel; Shikhaliyev, Namiq Q.; Abdullayeva, Afaq; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Gahramanova, Shahnaz I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-dimethylphenyl)-5-(4-nitrophenyl)-2H-1,2,3-triazole Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P -1
Cell volume: 766.71
Cell parameters: 7.44; 9.92; 11.52; 93.071; 105.349; 108.879;  

COD ID: 2022861
CIF file

HKL data

Original IUCr paper

Formula: - C10 H10 Br2 O5 -
Comments: Meurer, Florian; Dimova, Tanya; Bodensteiner, Michael; Kolev, Iliyan 2,6-Dibromo-3,4,5-trimethoxybenzoic acid Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P 1 21/n 1
Cell volume: 1310.54
Cell parameters: 11.4047; 7.1107; 16.8997; 90; 107.009; 90;  

COD ID: 2022862
CIF file

HKL data

Original IUCr paper

Formula: - C15 H23 N7 O2 S2 -
Comments: Guseinov, Firudin I.; Knyazev, Aleksandr V.; Shuvalova, Elena V.; Kobrakov, Konstantin I.; Samigullina, Aida I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothioamide) dimethylformamide monosolvate Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: C 1 c 1
Cell volume: 2039.29
Cell parameters: 8.4573; 23.5853; 11.0072; 90; 111.749; 90;  

COD ID: 2022863
CIF file

Original IUCr paper

Formula: - C28 H26 Cl F3 N2 O8 -
Comments: Sakamoto, Nasa; Gato, Katsuhiko Crystal structure of a 1:1 co-crystal of quabodepistat (OPC-167832) with 2,5-dihydroxybenzoic acid using microcrystal electron diffraction Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P 1 21 1
Cell volume: 1516
Cell parameters: 5.6; 9.6; 28.2; 90; 90.3; 90;  

COD ID: 2022864
CIF file

HKL data

Original IUCr paper

Formula: - N2 Si -
Comments: Jurzick, Pascal L.; Krach, Georg; Brüning, Lukas; Schnick, Wolfgang; Bykov, Maxim Synthesis and crystal structure of silicon pernitride SiN2 at 140 GPa Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P a -3
Cell volume: 69.96
Cell parameters: 4.1205; 4.1205; 4.1205; 90; 90; 90;  

COD ID: 2022865
CIF file

HKL data

Original IUCr paper

Formula: - C18 H16 Fe N4 -
Comments: Joekar, Delara; Hiscock, Lana K.; Dawe, Louise N. Synthesis, crystal structure, and Hirshfeld surface analysis of 3-ferrocenyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P 1 21/c 1
Cell volume: 1454.1
Cell parameters: 17.349; 6.894; 12.173; 90; 92.878; 90;  

COD ID: 2022934
CIF file

HKL data

Original IUCr paper

Formula: - C18 H15 Cu N3 O5 -
Comments: Chaisuriya, Wanassanan; Chainok, Kittipong; Wannarit, Nanthawat Crystal structure and Hirshfeld surface analysis of a new mononuclear copper(II) complex: [bis(pyridin-2-yl-κN)amine](formato-κO)(m-hydroxybenzoato-κ2 O,O′)copper(II) Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1115-1120
Space group: P 1 21/c 1
Cell volume: 1716.53
Cell parameters: 8.3265; 14.9699; 13.9523; 90; 99.242; 90;  

COD ID: 2022935
CIF file

HKL data

Original IUCr paper

Formula: - Ca F6 H4 O2 Si -
Comments: Motaln, Klemen; Lozinšek, Matic Crystal structure of CaSiF6·2H2O(mP2) and reevaluation of the SiIV–F bond-valence parameter R 0 Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1121-1126
Space group: P 1 2/c 1
Cell volume: 290.783
Cell parameters: 5.96605; 5.13977; 9.9308; 90; 107.275; 90;  

COD ID: 2022936
CIF file

HKL data

Original IUCr paper

Formula: - C24 H29 F2 N O4 -
Comments: Yıldırım, Sema Öztürk; Akkurt, Mehmet; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya Synthesis, characterization, crystal structure and Hirshfeld surface analysis of isobutyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1132-1136
Space group: P c a 21
Cell volume: 2256.3
Cell parameters: 11.9879; 12.1807; 15.4518; 90; 90; 90;  

COD ID: 2022937
CIF file

HKL data

Original IUCr paper

Formula: - C24 H19 D6 N O6 S2 -
Comments: Mammadova, Gunay Z.; Yakovleva, Elizaveta D.; Erokhin, Pavel P.; Grigoriev, Mikhail S.; Atioğlu, Zeliha; Azizova, Asmet N.; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 10-hydroxy-2-(4-methoxyphenyl)-3-oxo-2,3,3a,4,10,10a-hexahydro-1H-9-thia-2-azacyclopenta[b]fluorene-4-carboxylic acid dimethyl sulfoxide-d 6 monosolvate Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1127-1131
Space group: P 1 21/c 1
Cell volume: 2245.9
Cell parameters: 16.3178; 9.2747; 14.872; 90; 93.771; 90;  

COD ID: 2022938
CIF file

HKL data

Original IUCr paper

Formula: - C30 H30 N6 O12 -
Comments: Phillips, Sara K.; Brancato, Savannah G.; MacMillan, Samantha N.; Snider, Mark J.; Roering, Andrew J.; Hicks, Katherine A. Synthesis and crystallographic characterization of 6-hydroxy-1,2-dihydropyridin-2-one Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1147-1150
Space group: P 1 21/n 1
Cell volume: 3067.19
Cell parameters: 9.58785; 16.83642; 19.55978; 90; 103.732; 90;  

COD ID: 2022939
CIF file

HKL data

Original IUCr paper

Formula: - C15 H16 N2 O3 -
Comments: Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, Ibrahim G. Crystal structure and Hirshfeld surface analysis of (2Z)-3-oxo-N-phenyl-2-[(1H-pyrrol-2-yl)methylidene]butanamide monohydrate Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1142-1146
Space group: I 1 2/a 1
Cell volume: 2814.5
Cell parameters: 13.742; 8.8912; 23.114; 90; 94.742; 90;  

COD ID: 2022940
CIF file

HKL data

Original IUCr paper

Formula: - C6 H10 Br2 Cd N6 -
Comments: Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Malinkin, Sergey O.; Shova, Sergiu; Fritsky, Igor O.; Seredyuk, Maksym Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1151-1154
Space group: P -1
Cell volume: 292.09
Cell parameters: 5.0515; 6.7912; 8.7083; 83.585; 79.907; 86.833;  

COD ID: 2022941
CIF file

Original IUCr paper

Formula: - C17 H26 N2 S2 -
Comments: Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio; Ansary, Md. Rezaul Haque Crystal structure of S-n-octyl 3-(1-phenylethylidene)dithiocarbazate and of its bis-chelated nickel(II) complex Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1137-1141
Space group: P -1
Cell volume: 921.6
Cell parameters: 4.9925; 12.4283; 15.0643; 98.42; 94.302; 91.15;  

COD ID: 2022942
CIF file

HKL data

Original IUCr paper

Formula: - C34 H50 N4 Ni S4 -
Comments: Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio; Ansary, Md. Rezaul Haque Crystal structure of S-n-octyl 3-(1-phenylethylidene)dithiocarbazate and of its bis-chelated nickel(II) complex Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1137-1141
Space group: P 1 21/n 1
Cell volume: 3686.6
Cell parameters: 13.6399; 17.6532; 16.7596; 90; 114; 90;  

COD ID: 2022943
CIF file

HKL data

Original IUCr paper

Formula: - Cd3 O8 P2 -
Comments: Cherif, Fatima-Zahra; Taibi, Mhamed; Boukhari, Ali; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen Crystal structure reinvestigation and spectroscopic analysis of tricadmium orthophosphate Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1155-1160
Space group: P 1 21/n 1
Cell volume: 2033.8
Cell parameters: 9.1895; 10.3507; 21.6887; 90; 99.644; 90;  

COD ID: 2022944
CIF file

HKL data

Original IUCr paper

Formula: - C32 H30 Co2 N6 O4 S2 -
Comments: Orton, James B.; Diouf, Ngone; Gueye, Rokhaya S.; Gaye, Mohamed; Thiam, Ibrahima Elhadji; Coles, Simon J. Synthesis and crystal structures of two related Co and Mn complexes: a celebration of collaboration between the universities of Dakar and Southampton Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1109-1114
Space group: P 1 21/c 1
Cell volume: 1596.11
Cell parameters: 7.74843; 19.2895; 10.69753; 90; 93.3777; 90;  

COD ID: 2022945
CIF file

HKL data

Formula: - C42 H66 N6 O Pd S2 -
Comments: Melo, Ana Paula Lopes de; Bresolin, Leandro; Tirloni, Bárbara; Farias, Renan Lira de; Oliveira, Adriano Bof de Synthesis, crystal structure and Hirshfeld analysis of trans-bis(2-{1-[(6R,S)-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamidato-κ2 N 2,S)palladium(II) ethanol monosolvate Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1166-1172
Space group: P -1
Cell volume: 2186.6
Cell parameters: 12.412; 12.43; 15.7; 69.021; 86.73; 75.348;  

COD ID: 2022946
CIF file

HKL data

Original IUCr paper

Formula: - C8 H18 Au Cl N2 O2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of the isotypic complexes bis(morpholine)gold(I) chloride and bis(morpholine)gold(I) bromide Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1161-1165
Space group: C 1 2/c 1
Cell volume: 1152.27
Cell parameters: 18.9504; 5.92161; 11.3049; 90; 114.729; 90;  

COD ID: 2022947
CIF file

HKL data

Original IUCr paper

Formula: - C8 H18 Au Br N2 O2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of the isotypic complexes bis(morpholine)gold(I) chloride and bis(morpholine)gold(I) bromide Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1161-1165
Space group: C 1 2/c 1
Cell volume: 1189.58
Cell parameters: 18.8719; 6.0784; 11.405; 90; 114.595; 90;  

COD ID: 2022948
CIF file

HKL data

Original IUCr paper

Formula: - C25 H16 Cl Fe N9 S -
Comments: Müller-Meinhard, Asmus; Jess, Inke; Näther, Christian Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II) Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1173-1178
Space group: P 4 n c
Cell volume: 1299.2
Cell parameters: 10.79412; 10.79412; 11.15065; 90; 90; 90;  

COD ID: 2022949
CIF file

HKL data

Original IUCr paper

Formula: - C29 H44 N8 O -
Comments: Zouhair, Mustapha; El Ghayati, Lhoussaine; El Monfalouti, Hanae; Abchihi, Hicham; Hökelek, Tuncer; Ahmed, Mazzah; Mague, Joel T.; Sebbar, Nada Kheira Synthesis, structure and Hirshfeld surface analysis of 1,3-bis[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-1H-benzo[d]imidazol-2(3H)-one Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1179-1182
Space group: P 1 21 1
Cell volume: 1485.43
Cell parameters: 5.5229; 11.9579; 22.5767; 90; 94.962; 90;  

COD ID: 2022950
CIF file

HKL data

Original IUCr paper

Formula: - C7 H7 N3 O -
Comments: Lahyaoui, Mouad; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Hökelek, Tuncer; Mague, Joel T.; Kandri Rodi, Youssef; Sebbar, Nada Kheira Crystal structure, Hirshfeld surface analysis, intermolecular interaction energies, energy frameworks and DFT calculations of 4-amino-1-(prop-2-yn-1-yl)pyrimidin-2(1H)-one Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1183-1189
Space group: P 1 21/c 1
Cell volume: 676.17
Cell parameters: 5.3864; 18.013; 7.0112; 90; 96.288; 90;  

COD ID: 2022951
CIF file

HKL data

Original IUCr paper

Formula: - C15 H15 F3 N2 O3 S -
Comments: Richter, Adrian; Goddard, Richard; Imming, Peter; Seidel, Rüdiger W. Crystal structure and antimycobacterial evaluation of 2-(cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)benzo[d]isothiazol-3(2H)-one Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1194-1198
Space group: I 1 2/a 1
Cell volume: 3037.8
Cell parameters: 21.9709; 5.1271; 27.022; 90; 93.633; 90;  

COD ID: 2022952
CIF file

HKL data

Original IUCr paper

Formula: - C49 H88 Cl12 N12 Na Nd O11 P4 -
Comments: Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Znovjyak, Kateryna O.; Shishkina, Svitlana V.; Amirkhanov, Volodymyr M. Synthesis, crystal structure and Hirshfeld surface analysis of the tetrakis complex NaNdPyr4(i-PrOH)2·i-PrOH with a carbacylamidophosphate of the amide type Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1218-1222
Space group: P -1
Cell volume: 3687.5
Cell parameters: 12.7712; 13.6102; 24.7288; 98.301; 97.814; 117.051;  

COD ID: 2022953
CIF file

HKL data

Original IUCr paper

Formula: - C56 H90 N26 Ni8 O6 -
Comments: Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1199-1206
Space group: I 4/m m m
Cell volume: 3458.09
Cell parameters: 16.6921; 16.6921; 12.4112; 90; 90; 90;  

COD ID: 2022954
CIF file

HKL data

Original IUCr paper

Formula: - C94.39 H164.78 Cl14.39 N26 Ni8 O6 -
Comments: Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1199-1206
Space group: P m n a
Cell volume: 6429.3
Cell parameters: 30.39; 14.5762; 14.5141; 90; 90; 90;  

COD ID: 2022955
CIF file

HKL data

Original IUCr paper

Formula: - C164 H306 N26 Ni8 O6 -
Comments: Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1199-1206
Space group: P -1
Cell volume: 8937
Cell parameters: 13.973; 20.765; 31.873; 99.896; 94.798; 99.1;  

COD ID: 2022956
CIF file

HKL data

Original IUCr paper

Formula: - C19 H20 Cl2 N2 O -
Comments: Akila, Shanmugasundaram; Vidhyasagar, Thankakan; Winfred Jebaraj, John Peter; Thiruvalluvar, Aravazhi Amalan; Rajeswari, Krishnan Synthesis, crystal structure and computational analysis of 2,7-bis(4-chlorophenyl)-3,3-dimethyl-1,4-diazepan-5-one Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1212-1217
Space group: P 1 21/n 1
Cell volume: 1903.3
Cell parameters: 12.364; 11.148; 13.898; 90; 96.5; 90;  

COD ID: 2022957
CIF file

HKL data

Original IUCr paper

Formula: - C34 H38 Cd N8 O6 S2 -
Comments: Suyunov, Jabbor; Torambetov, Batirbay; Turaev, Khayit; Kadirova, Shakhnoza; Alimnazarov, Bekmurod; Ashurov, Jamshid Synthesis, crystal structure and Hirshfeld surface analysis of a cadmium complex of naphthalene-1,5-disulfonate and o-phenylenediamine Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1190-1193
Space group: C 1 2/c 1
Cell volume: 3489.39
Cell parameters: 23.5743; 7.7286; 19.726; 90; 103.858; 90;  

COD ID: 2022958
CIF file

HKL data

Original IUCr paper

Formula: - Bi2 H N O6 -
Comments: Weil, Matthias; Missen, Owen P.; Mills, Stuart J. Dimorphism of [Bi2O2(OH)](NO3) – the ordered Pna21 structure at 100 K Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1223-1227
Space group: P n a 21
Cell volume: 492.9
Cell parameters: 5.3854; 5.3676; 17.051; 90; 90; 90;  

COD ID: 2023046
CIF file

Original IUCr paper

Formula: - C12 H25 Cl3 N4 O2 Zn -
Comments: Hubin, Daniel J.; Cunningham, Blue M.; Hubin, Timothy J.; Ebel, Jonathan P.; Krause, Jeanette A.; Oliver, Allen G. The unanticipated oxidation of a tertiary amine in a tetracyclic glyoxal-cyclam condensate yielding zinc(II) coordinated to a sterically hindered amine oxide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21/n 1
Cell volume: 1703.5
Cell parameters: 8.7253; 14.3482; 14.0718; 90; 104.76; 90;  

COD ID: 2023047
CIF file

Original IUCr paper

Formula: - C14 H12 N2 O4 -
Comments: Shi, Xin-Wei; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-fu Synthesis, crystal structure and Hirshfeld surface analysis of N-(6-acetyl-1-nitronaphthalen-2-yl)acetamide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21/m 1
Cell volume: 624.31
Cell parameters: 8.7649; 6.8899; 10.6868; 90; 104.676; 90;  

COD ID: 2023048
CIF file

Original IUCr paper

Formula: - C28 H29 Cl N8 O6 -
Comments: Gautam, Ram N.; Sonkar, Sankatha P.; Yadav, Shailendra; Nath, Paras; Bharty, Manoj K. CoII-catalysed synthesis of N-(4-methoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine hemihydrochloride monohydrate Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: C 1 2/c 1
Cell volume: 2852.54
Cell parameters: 20.5406; 13.7457; 10.565; 90; 107.006; 90;  

COD ID: 2023049
CIF file

Original IUCr paper

Formula: - C40 H44 Cl12 Lu N4 O16 P5 -
Comments: Struhatska, Mariia B.; Ovchynnikov, Vladimir A.; Kariaka, Nataliia S.; Gawryszewska, Paula; Amirkhanov, Volodymyr M. Crystal structure of tetraphenyl phosphate tetrakis[dimethyl (2,2,2-trichloroacetyl)phosphoramidato]lutetium(III), PPh4[LuL 4] Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21/c 1
Cell volume: 6001.8
Cell parameters: 19.6882; 18.9452; 17.2139; 90; 110.811; 90;  

COD ID: 2023050
CIF file

Original IUCr paper

Formula: - C9 H21 Au Cl3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 774.12
Cell parameters: 8.0262; 9.0839; 10.7162; 86.185; 85.73; 84.468;  

COD ID: 2023051
CIF file

Original IUCr paper

Formula: - C10 H23 Au Cl3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21/n 1
Cell volume: 1650.42
Cell parameters: 8.4533; 17.0563; 11.4826; 90; 94.525; 90;  

COD ID: 2023052
CIF file

Original IUCr paper

Formula: - C10 H23 Au Cl3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21/n 1
Cell volume: 1632.85
Cell parameters: 7.9363; 14.4096; 14.2851; 90; 91.774; 90;  

COD ID: 2023053
CIF file

Original IUCr paper

Formula: - C11 H25 Au Cl3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 864.7
Cell parameters: 8.6034; 9.7779; 11.4231; 78.876; 71.456; 72.702;  

COD ID: 2023054
CIF file

Original IUCr paper

Formula: - C12 H25 Au Cl6 D P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 1053.13
Cell parameters: 9.6382; 10.2787; 11.8483; 75.115; 68.875; 89.728;  

COD ID: 2023055
CIF file

Original IUCr paper

Formula: - C13 H29 Au Cl5 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 1074.95
Cell parameters: 8.4202; 11.2194; 11.8355; 98.398; 101.174; 95.991;  

COD ID: 2023056
CIF file

Original IUCr paper

Formula: - C10 H23 Au Cl3 P Se -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21/n 1
Cell volume: 1656.54
Cell parameters: 7.92516; 14.5559; 14.3635; 90; 91.264; 90;  

COD ID: 2023057
CIF file

Original IUCr paper

Formula: - C11 H25 Au Cl3 P Se -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 875.78
Cell parameters: 8.5878; 9.8435; 11.5022; 78.391; 71.168; 73.463;  

COD ID: 2023058
CIF file

Original IUCr paper

Formula: - C12 H25 Au Cl6 D P Se -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 1066.3
Cell parameters: 8.5343; 9.7185; 14.0759; 74.398; 78.121; 73.257;  

COD ID: 2023059
CIF file

Original IUCr paper

Formula: - C9 H21 Au Br3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21/c 1
Cell volume: 1629.56
Cell parameters: 9.1341; 7.9039; 22.642; 90; 94.519; 90;  

COD ID: 2023060
CIF file

Original IUCr paper

Formula: - C11 H25 Au Br3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 890.37
Cell parameters: 8.6067; 10.1161; 11.5123; 77.873; 70.257; 71.867;  

COD ID: 2023061
CIF file

Original IUCr paper

Formula: - C9 H21 Au Br3 P Se -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 813.34
Cell parameters: 8.3928; 10.1417; 10.7567; 94.419; 105.612; 110.113;  

COD ID: 2023062
CIF file

Original IUCr paper

Formula: - C11 H25 Au Br3 P Se -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 904.02
Cell parameters: 8.6; 10.2045; 11.5987; 77.475; 69.764; 72.601;  

COD ID: 2023063
CIF file

Original IUCr paper

Formula: - C13 H13 Cl F N O4 -
Comments: Li, Victor; Yap, Glenn P. A.; Ni, Chaoying Crystal structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21 1
Cell volume: 665.31
Cell parameters: 7.8729; 5.5655; 15.492; 90; 101.446; 90;  

COD ID: 2023064
CIF file

Original IUCr paper

Formula: - C17 H15 N5 -
Comments: Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Dobrokhotova, Ekaterina V.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methylphenyl)-1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21/c 1
Cell volume: 1431.23
Cell parameters: 6.2459; 14.148; 16.2111; 90; 92.435; 90;  

COD ID: 2023065
CIF file

Original IUCr paper

Formula: - C17 H12 N2 O -
Comments: Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Pourayoubi, Mehrdad; Yahya Abdullah Alzahrani, Abdullah; Ramli, Youssef Synthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yloxy)quinoxaline Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 653.39
Cell parameters: 8.4614; 9.0947; 9.536; 87.739; 72.963; 69.028;  

COD ID: 2023066
CIF file

Original IUCr paper

Formula: - C21 H23 N3 O3 -
Comments: Lamssane, Houda; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; Kandri Rodi, Youssef; Sebbar, Nada Kheira Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, interaction energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 21 21 21
Cell volume: 1862.52
Cell parameters: 8.444; 14.3013; 15.4233; 90; 90; 90;  

COD ID: 2023067
CIF file

Original IUCr paper

Formula: - C9 H9 Li O5 -
Comments: Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt Lithium and sodium 3-(3,4-dihydroxyphenyl)propenoate hydrate Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21/n 1
Cell volume: 900.2
Cell parameters: 8.3083; 4.8511; 22.587; 90; 98.572; 90;  

COD ID: 2023068
CIF file

Original IUCr paper

Formula: - C9 H9 Na O5 -
Comments: Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt Lithium and sodium 3-(3,4-dihydroxyphenyl)propenoate hydrate Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 458.65
Cell parameters: 6.3289; 6.8126; 11.253; 75.05; 86.39; 78.09;  

COD ID: 2023069
CIF file

Original IUCr paper

Formula: - C20 H28 Br2 Cu N12 S8 -
Comments: Atashov, Aziz; Azamova, Mukhlisakhon; Ziyatov, Daminbek; Uzakbergenova, Zamira; Torambetov, Batirbay; Holczbauer, Tamas; Ashurov, Jamshid; Kadirova, Shakhnoza Synthesis, crystal structure and Hirshfeld surface analysis of bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κN 3]copper(II) bromide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 4/n :2
Cell volume: 1830.24
Cell parameters: 12.69368; 12.69368; 11.35879; 90; 90; 90;  

COD ID: 2023070
CIF file

Original IUCr paper

Formula: - C25 H31 N5 O6 -
Comments: Metwally, Nadia H.; Elgemeie, Galal H.; Abd Al-latif, El-shimaa S. M.; Jones, Peter G. Crystal structure of 2,4-diamino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-chromeno[2,3-b]pyridine-3-carbonitrile–dimethylformamide–water (1/1/1) Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P 1 21/n 1
Cell volume: 2499.98
Cell parameters: 9.9055; 15.96; 16.4794; 90; 106.344; 90;  

COD ID: 2023071
CIF file

Original IUCr paper

Formula: - C18 H18 O12 -
Comments: Hanauer, Thomas; Seichter, Wilhelm; Mazik, Monika Crystal structure and Hirshfeld surface analysis of 4,4′-dimethoxybiphenyl-3,3′,5,5′-tetracarboxylic acid dihydrate Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: I 41 c d
Cell volume: 3734.7
Cell parameters: 24.069; 24.069; 6.4468; 90; 90; 90;  

COD ID: 2023072
CIF file

Original IUCr paper

Formula: - C8 H7 N O2 -
Comments: Florez-Muñoz, Valentina; Guerrero, Andres Felipe; Macias, Mario; Illicachi, Luis Alberto; D'Vries, Richard Synthesis, characterization and supramolecular analysis for (E)-3-(pyridin-4-yl)acrylic acid Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 352.58
Cell parameters: 6.6279; 7.3272; 8.2308; 67.271; 83.403; 73.006;  

COD ID: 2023073
CIF file

Original IUCr paper

Formula: - C13 H13 Cl N2 O3 -
Comments: Mustaphi, Nour El Hoda; Aboutofil, Fatima Ezzahra; El Houssni, Lamyae; Saif, Eiad; Mague, Joel T.; Chkirate, Karim; Essassi, El Mokhtar Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetate Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P c a 21
Cell volume: 1280.63
Cell parameters: 22.8042; 4.7826; 11.7421; 90; 90; 90;  

COD ID: 2023074
CIF file

Original IUCr paper

Formula: - C64 H62 N4 O9 S2 -
Comments: Burkin, Gleb M.; Kvyatkovskaya, Elizaveta A.; Khrustalev, Victor N.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methylphenyl)sulfonyl]-2,7,8,9-tetrahydro-1H-3,6:10,13-diepoxy-1,8-benzodiazacyclopentadecine ethanol hemisolvate Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 1375.62
Cell parameters: 10.7108; 11.7817; 12.9233; 73.831; 67.667; 67.38;  

COD ID: 2023075
CIF file

Original IUCr paper

Formula: - C14 H13 N O S -
Comments: Mohamed-Ezzat, Reham A.; Kariuki, Benson M.; Elgemeie, Galal H. Synthesis and crystal structure of N-phenyl-2-(phenylsulfanyl)acetamide Acta Crystallographica Section E Crystallographic Communications 80(4) (2024)
Space group: P -1
Cell volume: 1219.72
Cell parameters: 5.6768; 12.0747; 18.1912; 87.071; 82.11; 81.11;  


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