D--H···A | D--H (Å) | H···A(Å) | D···A(Å) | D--H···A(°) |
---|---|---|---|---|
CytNit | ||||
N1--H1···O3ai | 0.94 (5) | 1.88 (5) | 2.780 (4) | 161 (4) |
N2--H2a···O1a | 0.95 (4) | 1.89 (4) | 2.830 (4) | 172 (3) |
N2--H2b···O2a | 0.96 (3) | 1.92 (3) | 2.848 (3) | 164 (3) |
N2--H2b···O4a | 0.96 (3) | 2.29 (3) | 2.829 (4) | 115 (3) |
N3--H3+···N3a | 0.99 (5) | 1.85 (5) | 2.837 (3) | 175 (2) |
N9--H9···O6w | 0.84 (3) | 1.96 (3) | 2.795 (4) | 175 (3) |
N1a--H1a···O3ii | 0.95 (4) | 1.88 (5) | 2.790 (4) | 157 (4) |
N2a--H21a···O1 | 0.93 (4) | 1.96 (4) | 2.876 (4) | 171 (3) |
N2a--H21b···O2 | 0.89 (3) | 1.96 (3) | 2.830 (4) | 165 (3) |
N2a--H21b···O4 | 0.89 (3) | 2.36 (3) | 2.869 (4) | 117 (2) |
N9a--H9a···O7w | 1.00 (4) | 1.75 (4) | 2.744 (4) | 176 (4) |
N11a--H11a···N11iii | 0.99 (3) | 1.70 (4) | 2.686 (3) | 176 (3) |
O6w--H61···O1aiv | 0.84 (5) | 2.02 (5) | 2.858 (4) | 171 (5) |
O6w--H62···O5aiv | 0.85 (5) | 2.43 (5) | 3.271 (4) | 170 (5) |
O7w--H71···O1v | 0.86 (5) | 2.02 (5) | 2.878 (4) | 175 (5) |
O7w--H72···O5v | 0.80 (5) | 2.41 (5) | 3.199 (4) | 168 (6) |
5FcytNit | ||||
N11--H11···N3 | 1.00 (6) | 1.80 (6) | 2.763 (7) | 162 (5) |
N9--H9···O1vi | 0.88 (8) | 1.80 (8) | 2.670 (7) | 174 (7) |
N2--H2a···O3 | 0.87 (8) | 2.27 (8) | 3.104 (7) | 161 (8) |
N2--H2b···O7w | 0.71 (9) | 2.27 (9) | 2.964 (9) | 167 (10) |
N1--H1···O2vii | 0.86 (7) | 2.03 (7) | 2.881 (7) | 171 (5) |
O6w--H6a···O2 | 0.89 (2) | 1.93 (4) | 2.801 (7) | 167 (14) |
O6w--H6b···O6wviii | 0.89 (2) | 1.92 (8) | 2.723 (5) | 151 (14) |
O7w--H7a···O7wix | 0.89 (2) | 2.07 (4) | 2.935 (9) | 164 (12) |
O7w--H7b···O6wx | 0.88 (2) | 2.33 (4) | 3.189 (12) | 166 (12) |