Synthesis, X-ray Structure of Two Hexa-Coordinated Ni(II) Complexes with s-Triazine Hydrazine Schiff Base Ligand
Abstract
:1. Introduction
2. Results and Discussion
2.1. Synthesis and Characterizations
2.2. X-ray Structure Description
2.3. Hirshfeld Analysis
2.4. Antimicrobial Assay
3. Materials and Methods
3.1. Physical Measurements
3.2. Preparation of DMPT
3.2.1. Synthesis of Ligand (DMPT) [45]
3.2.2. Synthesis of Complexes [Ni(DMPT)(H2O)3](NO3)2.3H2O (1) and [Ni(DMPT)(H2O)3](NO3)2.H2O (2)
3.3. X-ray Crystallography
3.4. Hirshfeld Analysis
3.5. Antimicrobial Assay
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Bond | Distance | Bond | Distance |
---|---|---|---|
Ni(1)–N(2) | 2.0031(12) | Ni(1)–O(3) | 2.0764(12) |
Ni(1)–O(2) | 2.0242(12) | Ni(1)–N(1) | 2.1002(13) |
Ni(1)–O(1) | 2.0466(12) | Ni(1)–N(4) | 2.2608(12) |
Bonds | Angle | Bonds | Angle |
N(2)–Ni(1)–O(2) | 171.68(5) | O(1)–Ni(1)–N(1) | 92.93(5) |
N(2)–Ni(1)–O(1) | 90.08(5) | O(3)–Ni(1)–N(1) | 87.39(5) |
O(2)–Ni(1)–O(1) | 90.28(5) | N(2)–Ni(1)–N(4) | 76.47(4) |
N(2)–Ni(1)–O(3) | 91.46(5) | O(2)–Ni(1)–N(4) | 111.85(5) |
O(2)–Ni(1)–O(3) | 88.20(5) | O(1)–Ni(1)–N(4) | 88.12(5) |
O(1)–Ni(1)–O(3) | 178.46(5) | O(3)–Ni(1)–N(4) | 92.24(5) |
N(2)–Ni(1)–N(1) | 77.93(5) | N(1)–Ni(1)–N(4) | 154.38(5) |
O(2)–Ni(1)–N(1) | 93.75(5) |
D–H…A | D–H/Å | H…A/Å | D…A/Å | D–H…A/° | Symm. Code |
---|---|---|---|---|---|
C(11)–H(11B)...O(9)#1 | 0.99 | 2.39 | 3.356(2) | 165.2 | #1 −x + 3/2, y + 1/2, −z + 1/2 |
N(3)–H(3)...O(8)#2 | 0.88(2) | 2.07(2) | 2.9043(18) | 158.0(19) | #2 −x + 1/2, y + 1/2, −z + 1/2 |
O(1)–H(1A)...O(14) | 0.82(2) | 1.82(2) | 2.6391(19) | 179(2) | |
O(3)–H(3A)...O(6)#3 | 0.83(3) | 2.00(3) | 2.8245(18) | 170(2) | #3 x + 1, y, z |
O(12)–H(12C)...O(9)#4 | 0.84(3) | 2.46(3) | 3.091(2) | 133(2) | #4 x − 1/2, −y + 1/2, z + 1/2 |
O(12)–H(12C)...O(10)#4 | 0.84(3) | 2.04(3) | 2.870(2) | 170(3) | #4 x − 1/2, −y + 1/2, z + 1/2 |
O(12)–H(12D)...O(5)#5 | 0.83(3) | 1.98(3) | 2.7972(17) | 169(2) | #5 −x + 1, −y, −z + 1 |
O(3)–H(3B)...O(11) | 0.85(2) | 1.91(2) | 2.7540(18) | 171(2) | |
O(13)–H(13C)...N(5)#6 | 0.80(3) | 2.41(3) | 3.138(2) | 152(2) | #6 −x + 3/2, y − 1/2, −z + 1/2 |
O(13)–H(13C)...O(6)#3 | 0.80(3) | 2.43(3) | 2.9541(19) | 124(2) | #3 x + 1, y, z |
O(14)–H(14A)...O(12) | 0.81(3) | 1.96(3) | 2.730(2) | 159(3) | |
O(2)–H(2A)...O(12) | 0.80(3) | 1.93(3) | 2.7227(18) | 171(3) | |
O(2)–H(2B)...O(13) | 0.84(3) | 1.85(3) | 2.6901(18) | 175(2) | |
O(1)–H(1B)...O(4)#7 | 0.82(3) | 1.95(3) | 2.7684(17) | 171(3) | #7 −x + 1, −y + 1, −z + 1 |
O(14)–H(14B)...O(7) | 0.81(3) | 2.01(3) | 2.810(2) | 176(3) | |
O(13)–H(13D)...O(10)#6 | 0.83(3) | 2.05(3) | 2.861(2) | 165(3) | #6 −x + 3/2, y − 1/2, −z + 1/2 |
Bond | Distance | Bond | Distance |
---|---|---|---|
Ni(1)–N(2) | 2.0079(18) | Ni(1)–O(1) | 2.0652(16) |
Ni(1)–O(2) | 2.0378(17) | Ni(1)–N(1) | 2.1031(18) |
Ni(1)–O(3) | 2.0409(17) | Ni(1)–N(8) | 2.1907(18) |
Bonds | Angle | Bonds | Angle |
N(2)–Ni(1)–O(2) | 172.54(7) | O(3)–Ni(1)–N(1) | 93.97(7) |
N(2)–Ni(1)–O(3) | 94.34(7) | O(1)–Ni(1)–N(1) | 91.21(7) |
O(2)–Ni(1)–O(3) | 90.20(8) | N(2)–Ni(1)–N(8) | 77.95(7) |
N(2)–Ni(1)–O(1) | 88.89(7) | O(2)–Ni(1)–N(8) | 108.09(7) |
O(2)–Ni(1)–O(1) | 87.08(7) | O(3)–Ni(1)–N(8) | 88.99(7) |
O(3)–Ni(1)–O(1) | 174.37(7) | O(1)–Ni(1)–N(8) | 87.17(7) |
N(2)–Ni(1)–N(1) | 78.11(7) | N(1)–Ni(1)–N(8) | 156.03(7) |
O(2)–Ni(1)–N(1) | 95.69(7) |
D–H…A | D–H/Å | H…A/Å | D…A/Å | D–H…A/° | Symm. Code |
---|---|---|---|---|---|
C(12)–H(12B)...O(7)#1 | 0.99 | 2.43 | 3.122(3) | 126.9 | #1 x, y + 1, z |
N(3)–H(3)...O(6)#2 | 0.88(3) | 2.06(3) | 2.930(3) | 168(3) | #2 −x + 1, −y + 1, −z + 1 |
N(3)–H(3)...O(7)#2 | 0.88(3) | 2.60(3) | 3.170(3) | 123(2) | #2 −x + 1, −y + 1, −z + 1 |
O(2)–H(2A)...O(9) | 0.83(3) | 1.96(3) | 2.773(3) | 168(3) | |
O(1)–H(1A)...O(4)#3 | 0.81(3) | 1.91(4) | 2.691(2) | 161(3) | #3 −x + 1, −y + 2, −z + 1 |
O(1)–H(1B)...O(5)#4 | 0.86(4) | 1.97(4) | 2.798(2) | 161(3) | #4 x − 1, y, z |
O(2)–H(2B)...O(10)#5 | 0.82(3) | 1.96(3) | 2.775(3) | 175(3) | #5 −x + 1, −y + 1, −z + 2 |
O(3)–H(3A)...O(12) | 0.84(3) | 1.85(4) | 2.686(3) | 170(3) | |
O(3)–H(3B)...O(6) | 0.82(4) | 1.95(4) | 2.757(3) | 171(4) | |
O(3)–H(3B)...O(8) | 0.82(4) | 2.57(4) | 3.184(3) | 134(3) | |
O(12)–H(12C)...O(11)#6 | 0.80(4) | 2.10(4) | 2.885(4) | 165(4) | #6 −x + 1, −y, −z + 2 |
O(12)–H(12D)...O(9) | 1.01(6) | 1.91(6) | 2.841(3) | 152(5) |
Complex 1 | Complex 2 | ||
---|---|---|---|
Contact | Distance | Contact | Distance |
O11…H3B | 1.779 | O8…H3B | 2.453 |
O13…H2B | 1.710 | O6…H3B | 1.784 |
O12…H2A | 1.749 | O9…H2A | 1.806 |
O14…H1A | 1.656 | O9…H1 | 2.533 |
O5…H12D | 1.829 | O12…H3A | 1.713 |
O6…H3A | 1.854 | O5…H1B | 1.855 |
O7…H3A | 2.439 | O7…H12B | 2.371 |
O4…H1B | 1.793 | O4…H1A | 1.749 |
O9…H11B | 2.300 | O5…H1B | 1.855 |
O8…H3 | 1.950 | O10…H2B | 1.794 |
O6…H3 | 2.528 | O6…H7B | 2.573 |
O11…H3C | 2.508 | O8…H4 | 2.449 |
O7…H4 | 2.405 | O6…H7A | 2.458 |
O10…H16B | 2.561 | O6…H3 | 1.937 |
O11…H16B | 2.530 | O7…H3 | 2.535 |
O7…H14B | 1.829 | O9…H12D | 1.932 |
O8…H14B | 2.585 | O11…H12C | 1.928 |
O6…H13C | 2.333 | O6…C8 | 3.208 |
O9…H12C | 2.361 | N10…H2A | 2.555 |
O10…H12C | 1.897 | N9…H3B | 2.465 |
O10…H13D | 1.903 | N5…H7C | 2.588 |
O11…H13D | 2.523 | C5…H18A | 2.660 |
O12…H14A | 1.795 | C16…H1B | 2.704 |
N5…H13C | 2.251 | C12…H1A | 2.593 |
N10…H16B | 2.519 | C9…H12A | 2.697 |
N10…H3B | 2.555 | C9…H7C | 2.708 |
N9…H14B | 2.536 | H12D…H3A | 2.151 |
C9…H10A | 2.633 | ||
C4…H18A | 2.706 | ||
C17…H12D | 2.430 | ||
H1A…H14A | 2.118 | ||
H2B…H13D | 2.152 |
Microorganism | DMPT | 1 | Control |
---|---|---|---|
A. fumigatus | NA b (ND) c | NA b (ND) c | 17(156) d |
C. albicans | NA b (ND) c | NA b (ND) c | 20(312) d |
S. aureus | NA b (ND) c | NA b (ND) c | 24(9.7) e |
B. subtilis | NA b (ND) c | 12 (1250) c | 26(4.8) e |
E. coli | NA b (ND) c | 11 (1250) c | 30(4.8) e |
P. vulgaris | NA b (ND) c | NA b (1250) c | 25(4.8) e |
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Fathalla, E.M.; Abu-Youssef, M.A.M.; Sharaf, M.M.; El-Faham, A.; Barakat, A.; Haukka, M.; Soliman, S.M. Synthesis, X-ray Structure of Two Hexa-Coordinated Ni(II) Complexes with s-Triazine Hydrazine Schiff Base Ligand. Inorganics 2023, 11, 222. https://doi.org/10.3390/inorganics11050222
Fathalla EM, Abu-Youssef MAM, Sharaf MM, El-Faham A, Barakat A, Haukka M, Soliman SM. Synthesis, X-ray Structure of Two Hexa-Coordinated Ni(II) Complexes with s-Triazine Hydrazine Schiff Base Ligand. Inorganics. 2023; 11(5):222. https://doi.org/10.3390/inorganics11050222
Chicago/Turabian StyleFathalla, Eman M., Morsy A. M. Abu-Youssef, Mona M. Sharaf, Ayman El-Faham, Assem Barakat, Matti Haukka, and Saied M. Soliman. 2023. "Synthesis, X-ray Structure of Two Hexa-Coordinated Ni(II) Complexes with s-Triazine Hydrazine Schiff Base Ligand" Inorganics 11, no. 5: 222. https://doi.org/10.3390/inorganics11050222
APA StyleFathalla, E. M., Abu-Youssef, M. A. M., Sharaf, M. M., El-Faham, A., Barakat, A., Haukka, M., & Soliman, S. M. (2023). Synthesis, X-ray Structure of Two Hexa-Coordinated Ni(II) Complexes with s-Triazine Hydrazine Schiff Base Ligand. Inorganics, 11(5), 222. https://doi.org/10.3390/inorganics11050222