Crystallography Open Database

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Searching journal of publication like 'CrystEngComm'

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7251392 CIFC18 H18 Cl N3 O5 SP -17.2607; 11.1014; 12.511
107.297; 91.11; 101.344
940.75Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B.
Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide
CrystEngComm, 2025
7251393 CIFC8 H19 N O8P 1 21/c 117.7514; 5.68736; 13.0019
90; 110.823; 90
1226.91Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251394 CIFC15 H15 Cl N2 O7P -18.3098; 9.6361; 10.8666
96.5031; 106.955; 101.119
803.26Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251395 CIFC11 H17 N3 O6P -15.5781; 9.1736; 25.93
91.052; 92.193; 90.552
1325.6Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251396 CIFC15 H14 N2 O5 SP c a 2114.34; 13.802; 14.671
90; 90; 90
2904Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251397 CIFC20 H26 N2 O11P 1 21/c 112.3917; 11.7324; 14.9593
90; 100.549; 90
2138.09Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251398 CIFC9 H10 N O4P -16.6096; 7.0278; 11.2902
72.9234; 74.834; 69.87
463.1Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251399 CIFC20 H38 N2 O16P -18.6376; 9.5114; 15.9873
79.9178; 80.8899; 88.4671
1276.85Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251400 CIFC16 H36 N2 O15C 1 2/c 130.203; 5.6916; 14.254
90; 99.433; 90
2417.2Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251401 CIFC8 H9 N O2P n a 2113.6402; 8.6125; 6.3343
90; 90; 90
744.13Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251402 CIFC13 H13 N3 O6P -15.8889; 10.2677; 11.2466
102.25; 93.673; 91.141
662.79Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251403 CIFC36 H60.19 N3 O16.6P -17.5263; 12.781; 21.505
77.876; 88.418; 79.491
1988.5Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
CrystEngComm, 2026
7251407 CIFC5 H9 N3 O3P -14.1764; 7.4068; 12.223
90.144; 97.506; 91.316
374.76Raičević, Vidak; Radulović, Niko S.; Banić, Nemanja; Leovac, Vukadin M.; Rodić, Marko V.
Competing hydrogen bonding and acyclic π-stacking between hydrogen-bridged quasi-rings in Z- and E-methyl pyruvate semicarbazone: a quantitative interaction energy analysis
CrystEngComm, 2025, 27, 7721-7733
7251408 CIFC5 H9 N3 O3F d d 236.4109; 23.9057; 7.0463
90; 90; 90
6133.3Raičević, Vidak; Radulović, Niko S.; Banić, Nemanja; Leovac, Vukadin M.; Rodić, Marko V.
Competing hydrogen bonding and acyclic π-stacking between hydrogen-bridged quasi-rings in Z- and E-methyl pyruvate semicarbazone: a quantitative interaction energy analysis
CrystEngComm, 2025, 27, 7721-7733
9017408 CIFC Ca O3P 657.112; 7.112; 25.4089
90; 90; 120
1113.01Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
A new structural model for disorder in vaterite from first-principles calculations
CrystEngComm, 2012, 14, 44-47
9017409 CIFC Ca O3P 32 2 17.1239; 7.1239; 25.3203
90; 90; 120
1112.85Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
A new structural model for disorder in vaterite from first-principles calculations
CrystEngComm, 2012, 14, 44-47
9017410 CIFC Ca O3A m a 28.4905; 6.3905; 4.5026
90; 90; 90
244.305Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
A new structural model for disorder in vaterite from first-principles calculations
CrystEngComm, 2012, 14, 44-47
9017411 CIFC Ca O3P 21 21 214.3668; 6.5831; 8.4282
90; 90; 90
242.286Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
A new structural model for disorder in vaterite from first-principles calculations
CrystEngComm, 2012, 14, 44-47

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