D---H....A | H…A (Ǻ) | D…A (Ǻ) | D -H…A | Symmetry operation |
---|---|---|---|---|
5TPC AMPY (1a) | Â | Â | Â | Â |
O1A-H1A∙∙∙N1B | 1.66(4) | 2.636(4) | 172(3) |  |
O3A-H3A∙∙∙N3B | 1.70(4) | 2.682(3) | 178(4) |  |
N4B-H3C∙∙∙O2A | 2.08 | 2.928(4) | 170 |  |
N4B-H3D∙∙∙O4A | 2.05 | 2.902(4) | 171 |  |
C8A-H8A∙∙∙O4A | 2.55 | 3.419(5) | 155 | 1-x,-y,1-z |
C8B-H8E∙∙∙O4A | 2.60 | 3.495(5) | 156 | 1-x,1-y,1-z |
C-X…Cg | X…Cg (Å) | C-X..Cg (°) | Y..Cg (Å) | Symmetry code |
C5A-Cl1A Cg3 | 3.7555(19) | 92.33(12) | 4.190(4) | -1 + X,1/2-Y,-1/2 + Z |
C10A-Cl2A Cg2 | 3.9862(19) | 88.75(14) | 4.302(4) | 1 + X,1/2-Y,1/2 + Z |
TPCAMPY(2a) | Â | Â | Â | Â |
N1B-H1B∙∙∙O2A | 1.74 | 2.593(4) | 171 |  |
N4B-H4C∙∙∙N3B | 2.19 | 3.043(5) | 171 | -x,1-y,2-z |
N4B-H4D∙∙∙O1A | 2.08 | 2.912(4) | 164 |  |
C5A-H5A∙∙∙O1A | 2.51 | 3.417(4) | 165 | x,1/2-y,-1/2 + z |
TDCAMPY(3a) | Â | Â | Â | Â |
N4C-H4E∙∙∙O2A | 2.07 | 2.926(3) | 173 | 1-x,-1/2 + y,3/2-z |
N4C-H4F∙∙∙O4A | 2.00 | 2.853(3) | 171 |  |
N4D-H4H∙∙∙O2B | 2.04 | 2.897(3) | 174 |  |
N4D-H4I∙∙∙O4B | 2.08 | 2.933(3) | 171 | 2-x,-1/2 + y,1/2-z |
O1A-H11A∙∙∙N3C | 1.83(3) | 2.608(3) | 166(3) | 1-x,1/2 + y,3/2-z |
O1B-H11B∙∙∙N1D | 1.96(3) | 2.660(3) | 171(3) |  |
O3A-H33A∙∙∙N1C | 1.67(3) | 2.643(3) | 177(3) |  |
O3B-H33B∙∙∙N3D | 1.69(3) | 2.636(3) | 167(3) | 2-x,1/2 + y,1/2-z |
5TPC CYT(4a) | Â | Â | Â | Â |
N1A-H1A∙∙∙O2 | 1.96 | 2.759(3) | 154 | 1-x,2-y,1-z |
N1B-H1B∙∙∙O1 | 1.76 | 2.6194(18) | 172 |  |
N3B-H3B∙∙∙N3A | 2.00 | 2.8586(17) | 177 |  |
N4A-H4C∙∙∙O3B | 2.06 | 2.9234(19) | 176 |  |
N4A-H4D∙∙∙O3A | 2.15 | 2.8632(19) | 140 | x,-1 + y,z |
N4B-H4E∙∙∙O3A | 1.92 | 2.7836(19) | 177 |  |
N4B-H4F∙∙∙O3B | 2.09 | 2.8626(18) | 149 | x,1 + y,z |
C-X…Cg | X…Cg (Å) | C-X..Cg (°) | Y..Cg (Å) | Symmetry code |
C5-Cl1 Cg3 | 3.6501(10) | 97.03(7) | 4.220(2) | -X,1-Y,-Z |
C1-O1 Cg2 | 3.4019(16) | 141.27(12 | 4.460(2) | -X,2-Y,1-Z |
C2A-O3A Cg1 | 3.4771(14) | 69.46(9) | 3.2563(16) | 1-X,2-Y,1-Z |
5TPC BA(5a) | Â | Â | Â | Â |
N1 –H1∙∙∙O1 | 2.00(6) | 2.886(7) | 169(7) | -1 + x,y,z |
O2 -H2A∙∙∙N5 | 1.85(6) | 2.631(6) | 173(8) | 1 + x,y,z |
N4 –H4 ∙∙∙N3 | 1.89(6) | 2.886(7) | 169(6) | 1-x,-y,1-z |
C8 –H8 ∙∙∙N1 | 2.54 | 2.875(8) | 101 |  |
C11-H11∙∙∙O2 | 2.60 | 3.479(9) | 158 | x,1 + y,z |
C-X…Cg | X…Cg (Å) | C-X..Cg (°) | Y..Cg (Å) | Symmetry code |
C5A-Cl1A Cg3 | 3.874(3) | 127.9(3) | 5.105(7) | -1-X,1-Y,2-Z |
C1A-O2A Cg1 | 3.945(5) | 63.4(3) | 3.571(6) | -1 + X,Y,Z |
C1A-O2A Cg5 | 3.962(5) | 69.1(3) | 3.707(6) | 1 + X,Y,Z |
5TPC2NPY(6a) | Â | Â | Â | Â |
N1B-H1B∙∙∙O1A | 1.82 | 2.6667(17) | 169 |  |
N2B-H2C∙∙∙O2A | 1.94 | 2.7861(19) | 169 |  |
N2B-H2D∙∙∙O1A | 2.03 | 2.8873(19) | 172 | x,3/2-y,1/2 + z |
C2B-H2B∙∙∙O2A | 2.48 | 3.211(2) | 135 | 1-x,1/2 + y,3/2-z |
C-X…Cg | X…Cg (Å) | C-X..Cg (°) | Y..Cg (Å) | Symmetry code |
C3B-H3B Cg2 | 2.93 | 133 | 3.628(2) | 1 + X,3/2-Y,1/2 + Z |
5TPC ACR(7a) | Â | Â | Â | Â |
O1A-H1A∙∙∙N1B | 1.721(19) | 2.574(2) | 168(2) |  |